2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide

C158H190F10N18O12 — CID 158304452

IUPAC2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide
SMILESCCC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(C)c(F)c(F)c2)CC1.COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(C)c(F)c(F)c4)CC3)CC2)cn1.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(C4CNc5ccccc54)CC3)C(N)=O)CC2)cc(F)c1F.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)CO)CC2)cc(F)c1F.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)N(C)C)CC2)cc(F)c1F
InChIInChI=1S/C33H40F2N4O2.C33H39F2N3O2.C32H37F2N3O3.C31H38F2N4O2.C29H36F2N4O3/c1-21-18-22(19-28(34)31(21)35)8-13-30(40)39-16-14-24(15-17-39)32(33(41)38(2)3)37-25-11-9-23(10-12-25)27-20-36-29-7-5-4-6-26(27)29;1-3-30(39)33(37-25-11-9-23(10-12-25)27-20-36-29-7-5-4-6-26(27)29)24-14-16-38(17-15-24)31(40)13-8-22-18-21(2)32(35)28(34)19-22;1-20-16-21(17-27(33)31(20)34)6-11-30(40)37-14-12-23(13-15-37)32(29(39)19-38)36-24-9-7-22(8-10-24)26-18-35-28-5-3-2-4-25(26)28;1-19-16-20(17-26(32)29(19)33)6-11-28(38)37-14-12-22(13-15-37)30(31(34)39)36-23-9-7-21(8-10-23)25-18-35-27-5-3-2-4-24(25)27;1-18-15-19(16-24(30)27(18)31)3-10-26(36)35-13-11-21(12-14-35)28(29(32)37)34-23-7-4-20(5-8-23)22-6-9-25(38-2)33-17-22/h4-8,13,18-20,23-25,32,36-37H,9-12,14-17H2,1-3H3;4-8,13,18-20,23-25,33,36-37H,3,9-12,14-17H2,1-2H3;2-6,11,16-18,22-24,32,35-36,38H,7-10,12-15,19H2,1H3;2-6,11,16-17,21-23,25,30,35-36H,7-10,12-15,18H2,1H3,(H2,34,39);3,6,9-10,15-17,20-21,23,28,34H,4-5,7-8,11-14H2,1-2H3,(H2,32,37)/b2*13-8+;2*11-6+;10-3+
InChIKeyGMXFKOARZYLHOD-NLMYIASSSA-N
MW2723.35 g/mol
LogP26.54
Rot. Bonds38

About 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide

2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide (PubChem CID 158304452) has the molecular formula C158H190F10N18O12 and a molecular weight of 2723.35 g/mol. Its IUPAC name is 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide.

Molecular Properties

Compound Name2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide
PubChem CID158304452
Molecular FormulaC158H190F10N18O12
Molecular Weight2723.35 g/mol
Exact Mass2721.47
IUPAC Name2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide
SMILESCCC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(C)c(F)c(F)c2)CC1.COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(C)c(F)c(F)c4)CC3)CC2)cn1.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(C4CNc5ccccc54)CC3)C(N)=O)CC2)cc(F)c1F.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)CO)CC2)cc(F)c1F.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)N(C)C)CC2)cc(F)c1F
InChIInChI=1S/C33H40F2N4O2.C33H39F2N3O2.C32H37F2N3O3.C31H38F2N4O2.C29H36F2N4O3/c1-21-18-22(19-28(34)31(21)35)8-13-30(40)39-16-14-24(15-17-39)32(33(41)38(2)3)37-25-11-9-23(10-12-25)27-20-36-29-7-5-4-6-26(27)29;1-3-30(39)33(37-25-11-9-23(10-12-25)27-20-36-29-7-5-4-6-26(27)29)24-14-16-38(17-15-24)31(40)13-8-22-18-21(2)32(35)28(34)19-22;1-20-16-21(17-27(33)31(20)34)6-11-30(40)37-14-12-23(13-15-37)32(29(39)19-38)36-24-9-7-22(8-10-24)26-18-35-28-5-3-2-4-25(26)28;1-19-16-20(17-26(32)29(19)33)6-11-28(38)37-14-12-22(13-15-37)30(31(34)39)36-23-9-7-21(8-10-23)25-18-35-27-5-3-2-4-24(25)27;1-18-15-19(16-24(30)27(18)31)3-10-26(36)35-13-11-21(12-14-35)28(29(32)37)34-23-7-4-20(5-8-23)22-6-9-25(38-2)33-17-22/h4-8,13,18-20,23-25,32,36-37H,9-12,14-17H2,1-3H3;4-8,13,18-20,23-25,33,36-37H,3,9-12,14-17H2,1-2H3;2-6,11,16-18,22-24,32,35-36,38H,7-10,12-15,19H2,1H3;2-6,11,16-17,21-23,25,30,35-36H,7-10,12-15,18H2,1H3,(H2,34,39);3,6,9-10,15-17,20-21,23,28,34H,4-5,7-8,11-14H2,1-2H3,(H2,32,37)/b2*13-8+;2*11-6+;10-3+
InChIKeyGMXFKOARZYLHOD-NLMYIASSSA-N
XLogP26.54
TPSA404.08 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds38
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002723.35
LogP ≤ 526.54
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide with MolForge

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Related Compounds

(8S,14S,17S,20S,26S,29S,32R,35S)-26,29-bis[(5-fluoro-1H-indol-3-yl)methyl]-17-[(1R)-1-hydroxyethyl]-14-[(4-methoxyphenyl)methyl]-32,35-dimethyl-6,12,15,18,24,27,30,33,36-nonazatetracyclo[40.3.1.08,12.020,24]hexatetraconta-1(45),42(46),43-triene-7,13,16,19,25,28,31,34,37-nonone
CID 166611800
(3S,6S,12S,15S,18S,20S,24S,27S,30R)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35-nonaoxo-4,10,13,16,22,25,28,31,34,40-decazatetracyclo[40.2.2.06,10.018,22]hexatetraconta-1(45),42(46),43-triene-3-carboxamide
CID 166611825
(3S,6S,12S,15S,18S,20S,24S,27S,30R)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,38-nonaoxo-4,10,13,16,22,25,28,31,37-nonazatetracyclo[37.2.2.06,10.018,22]tritetraconta-1(42),39(43),40-triene-3-carboxamide
CID 166611960
(3S,6S,12S,15S,18S,20S,24S,27S,30R,33S,36S,39E)-36-acetamido-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35-nonaoxo-4,10,13,16,22,25,28,31,34-nonazatetracyclo[40.2.2.06,10.018,22]hexatetraconta-1(45),39,42(46),43-tetraene-3-carboxamide
CID 166612002
(3S,6S,12S,15S,18S,20S,24S,27S,30R,33S,36S)-36-acetamido-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35-nonaoxo-4,10,13,16,22,25,28,31,34-nonazatetracyclo[40.2.2.06,10.018,22]hexatetraconta-1(45),42(46),43-triene-3-carboxamide
CID 166612004
(14S,17S,23S,26S,29S,32S,35S,38S,41R)-32-fluoro-35,38-bis[(5-fluoro-1H-indol-3-yl)methyl]-26-[(1R)-1-hydroxyethyl]-23-[(4-methoxyphenyl)methyl]-17,41-dimethyl-16,22,25,28,34,37,40,43-octaoxo-7,15,21,24,27,33,36,39,42-nonazahexacyclo[42.2.2.22,5.29,12.017,21.029,33]dopentaconta-1(47),2(52),3,5(51),9,11,44(48),45,49-nonaene-14-carboxamide
CID 158274436
(3S,6S,12S,15S,18S,20S,24S,27S,30R,33S,36S,40Z)-36-acetamido-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35-nonaoxo-4,10,13,16,22,25,28,31,34-nonazatetracyclo[41.2.2.06,10.018,22]heptatetraconta-1(46),40,43(47),44-tetraene-3-carboxamide
CID 162466119
(3S,6S,12S,15S,18S,20S,24S,27S,30R)-20-fluoro-27-[(5-fluoro-1H-indol-3-yl)methyl]-24-[(6-fluoro-1H-indol-3-yl)methyl]-15-[(1S)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,39-nonaoxo-4,10,13,16,22,25,28,31,38-nonazatetracyclo[38.2.2.06,10.018,22]tetratetraconta-1(43),40(44),41-triene-3-carboxamide
CID 166611810
(10S,13S,19S,22R,25S,27S,31S,34S,37R)-27-fluoro-31,34-bis[(5-fluoro-1H-indol-3-yl)methyl]-22-[(1S)-1-hydroxyethyl]-19-[(4-methoxyphenyl)methyl]-13,37-dimethyl-4,12,18,21,24,30,33,36,39-nonaoxo-3,11,17,20,23,29,32,35,38-nonazapentacyclo[39.2.2.25,8.013,17.025,29]heptatetraconta-1(44),5,7,41(45),42,46-hexaene-10-carboxamide
CID 166611963
(3S,6S,12S,15S,18S,20S,24S,27S,30R,33S,39Z)-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35-nonaoxo-4,10,13,16,22,25,28,31,34-nonazatetracyclo[40.2.2.06,10.018,22]hexatetraconta-1(45),39,42(46),43-tetraene-3-carboxamide
CID 162466126
(3S,6S,12S,15S,18S,20S,24S,27S,30R,33S,36S)-36-acetamido-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35,38-decaoxo-4,10,13,16,22,25,28,31,34,39-decazatetracyclo[39.3.1.06,10.018,22]pentatetraconta-1(45),41,43-triene-3-carboxamide
CID 166611961
(3S,6S,12S,15S,18S,20S,24S,27S,30R)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,38-nonaoxo-4,10,13,16,22,25,28,31,39-nonazatetracyclo[39.2.2.06,10.018,22]pentatetraconta-1(44),41(45),42-triene-3-carboxamide
CID 166611996

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide?
The IUPAC name of 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide (CID 158304452) is 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide.
What is the SMILES notation for 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide?
The canonical SMILES for 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide is CCC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(C)c(F)c(F)c2)CC1.COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(C)c(F)c(F)c4)CC3)CC2)cn1.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(C4CNc5ccccc54)CC3)C(N)=O)CC2)cc(F)c1F.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)CO)CC2)cc(F)c1F.Cc1cc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(=O)N(C)C)CC2)cc(F)c1F.
What is the InChIKey of 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide?
The InChIKey is GMXFKOARZYLHOD-NLMYIASSSA-N. The full InChI is InChI=1S/C33H40F2N4O2.C33H39F2N3O2.C32H37F2N3O3.C31H38F2N4O2.C29H36F2N4O3/c1-21-18-22(19-28(34)31(21)35)8-13-30(40)39-16-14-24(15-17-39)32(33(41)38(2)3)37-25-11-9-23(10-12-25)27-20-36-29-7-5-4-6-26(27)29;1-3-30(39)33(37-25-11-9-23(10-12-25)27-20-36-29-7-5-4-6-26(27)29)24-14-16-38(17-15-24)31(40)13-8-22-18-21(2)32(35)28(34)19-22;1-20-16-21(17-27(33)31(20)34)6-11-30(40)37-14-12-23(13-15-37)32(29(39)19-38)36-24-9-7-22(8-10-24)26-18-35-28-5-3-2-4-25(26)28;1-19-16-20(17-26(32)29(19)33)6-11-28(38)37-14-12-22(13-15-37)30(31(34)39)36-23-9-7-21(8-10-23)25-18-35-27-5-3-2-4-24(25)27;1-18-15-19(16-24(30)27(18)31)3-10-26(36)35-13-11-21(12-14-35)28(29(32)37)34-23-7-4-20(5-8-23)22-6-9-25(38-2)33-17-22/h4-8,13,18-20,23-25,32,36-37H,9-12,14-17H2,1-3H3;4-8,13,18-20,23-25,33,36-37H,3,9-12,14-17H2,1-2H3;2-6,11,16-18,22-24,32,35-36,38H,7-10,12-15,19H2,1H3;2-6,11,16-17,21-23,25,30,35-36H,7-10,12-15,18H2,1H3,(H2,34,39);3,6,9-10,15-17,20-21,23,28,34H,4-5,7-8,11-14H2,1-2H3,(H2,32,37)/b2*13-8+;2*11-6+;10-3+.
What are the key properties of 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide?
2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide has a molecular weight of 2723.35 g/mol, XLogP of 26.54, 38 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(2,3-dihydro-1H-indol-3-yl)cyclohexyl]amino]acetamide;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-3-hydroxy-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]propan-2-one;1-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]butan-2-one;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide is sourced from PubChem (CID 158304452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).