1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

C96H117N15O11 — CID 159746182

IUPAC1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C(C)Cc3ccccc3)CC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc(C(=O)N2CCNCC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C38H45N5O4.C30H37N5O4.C28H35N5O3/c1-27(24-28-6-4-3-5-7-28)37(45)41-20-22-42(23-21-41)38(46)32-10-11-35(47-2)30(25-32)12-16-40-17-14-33(15-18-40)43-19-13-29-8-9-31(36(39)44)26-34(29)43;1-21(36)33-15-17-34(18-16-33)30(38)25-5-6-28(39-2)23(19-25)7-11-32-12-9-26(10-13-32)35-14-8-22-3-4-24(29(31)37)20-27(22)35;1-36-26-5-4-23(28(35)32-16-10-30-11-17-32)18-21(26)6-12-31-13-8-24(9-14-31)33-15-7-20-2-3-22(27(29)34)19-25(20)33/h3-11,13,19,25-27,33H,12,14-18,20-24H2,1-2H3,(H2,39,44);3-6,8,14,19-20,26H,7,9-13,15-18H2,1-2H3,(H2,31,37);2-5,7,15,18-19,24,30H,6,8-14,16-17H2,1H3,(H2,29,34)
InChIKeyNDBMWRASRKXXBF-UHFFFAOYSA-N
MW1657.09 g/mol
LogP10.40
Rot. Bonds24

About 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 159746182) has the molecular formula C96H117N15O11 and a molecular weight of 1657.09 g/mol. Its IUPAC name is 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID159746182
Molecular FormulaC96H117N15O11
Molecular Weight1657.09 g/mol
Exact Mass1655.91
IUPAC Name1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C(C)Cc3ccccc3)CC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc(C(=O)N2CCNCC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C38H45N5O4.C30H37N5O4.C28H35N5O3/c1-27(24-28-6-4-3-5-7-28)37(45)41-20-22-42(23-21-41)38(46)32-10-11-35(47-2)30(25-32)12-16-40-17-14-33(15-18-40)43-19-13-29-8-9-31(36(39)44)26-34(29)43;1-21(36)33-15-17-34(18-16-33)30(38)25-5-6-28(39-2)23(19-25)7-11-32-12-9-26(10-13-32)35-14-8-22-3-4-24(29(31)37)20-27(22)35;1-36-26-5-4-23(28(35)32-16-10-30-11-17-32)18-21(26)6-12-31-13-8-24(9-14-31)33-15-7-20-2-3-22(27(29)34)19-25(20)33/h3-11,13,19,25-27,33H,12,14-18,20-24H2,1-2H3,(H2,39,44);3-6,8,14,19-20,26H,7,9-13,15-18H2,1-2H3,(H2,31,37);2-5,7,15,18-19,24,30H,6,8-14,16-17H2,1H3,(H2,29,34)
InChIKeyNDBMWRASRKXXBF-UHFFFAOYSA-N
XLogP10.40
TPSA295.05 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001657.09
LogP ≤ 510.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide with MolForge

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Related Compounds

1-[4-[4-[4-[2-(1H-indol-5-yl)-6-(4-methoxyphenyl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798393
1-[4-[4-[4-[2-(1H-indol-5-yl)-6-(3-methoxyphenyl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798392
10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide
CID 15156562
1-[4-[4-[4-[2-(3-fluoro-4-methoxyphenyl)-6-(1H-indol-5-yl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 140115173
1-[4-[4-[4-[2-(1H-indol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 140115286
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-propan-2-ylphenyl)indole-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-(oxan-4-yl)ethyl]-6-propan-2-yloxyindole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-6-propan-2-yloxy-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 157080571
[(1S,3'S)-2,3'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;(2-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;(3-methyl-4-propan-2-yloxyphenyl)-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;molecular hydrogen
CID 159005885
[4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
CID 159053093
[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;molecular hydrogen;(4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone
CID 159199226
3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160775542
1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 161083494
(2-fluoro-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
CID 161103940

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (CID 159746182) is 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)C(C)Cc3ccccc3)CC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc(C(=O)N2CCNCC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is NDBMWRASRKXXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45N5O4.C30H37N5O4.C28H35N5O3/c1-27(24-28-6-4-3-5-7-28)37(45)41-20-22-42(23-21-41)38(46)32-10-11-35(47-2)30(25-32)12-16-40-17-14-33(15-18-40)43-19-13-29-8-9-31(36(39)44)26-34(29)43;1-21(36)33-15-17-34(18-16-33)30(38)25-5-6-28(39-2)23(19-25)7-11-32-12-9-26(10-13-32)35-14-8-22-3-4-24(29(31)37)20-27(22)35;1-36-26-5-4-23(28(35)32-16-10-30-11-17-32)18-21(26)6-12-31-13-8-24(9-14-31)33-15-7-20-2-3-22(27(29)34)19-25(20)33/h3-11,13,19,25-27,33H,12,14-18,20-24H2,1-2H3,(H2,39,44);3-6,8,14,19-20,26H,7,9-13,15-18H2,1-2H3,(H2,31,37);2-5,7,15,18-19,24,30H,6,8-14,16-17H2,1H3,(H2,29,34).
What are the key properties of 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 1657.09 g/mol, XLogP of 10.40, 24 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-[4-(2-methyl-3-phenylpropanoyl)piperazine-1-carbonyl]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-5-(piperazine-1-carbonyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 159746182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).