[3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one

C70H78F6N8O6 — CID 158551386

IUPAC[3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CCOC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.O=C(CO)N1CCC(c2c[nH]c3ccccc23)CC1.O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H18F6N2O.C17H22N2O.C16H20N2O2.C15H18N2O2/c23-21(24,25)15-9-14(10-16(11-15)22(26,27)28)20(31)30-7-5-13(6-8-30)18-12-29-19-4-2-1-3-17(18)19;1-2-5-17(20)19-10-8-13(9-11-19)15-12-18-16-7-4-3-6-14(15)16;1-2-20-16(19)18-9-7-12(8-10-18)14-11-17-15-6-4-3-5-13(14)15;18-10-15(19)17-7-5-11(6-8-17)13-9-16-14-4-2-1-3-12(13)14/h1-4,9-13,29H,5-8H2;3-4,6-7,12-13,18H,2,5,8-11H2,1H3;3-6,11-12,17H,2,7-10H2,1H3;1-4,9,11,16,18H,5-8,10H2
InChIKeyHPTNNVCIZNBQSS-UHFFFAOYSA-N
MW1241.43 g/mol
LogP15.27
Rot. Bonds9

About [3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one

[3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one (PubChem CID 158551386) has the molecular formula C70H78F6N8O6 and a molecular weight of 1241.43 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one
PubChem CID158551386
Molecular FormulaC70H78F6N8O6
Molecular Weight1241.43 g/mol
Exact Mass1240.59
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CCOC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.O=C(CO)N1CCC(c2c[nH]c3ccccc23)CC1.O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H18F6N2O.C17H22N2O.C16H20N2O2.C15H18N2O2/c23-21(24,25)15-9-14(10-16(11-15)22(26,27)28)20(31)30-7-5-13(6-8-30)18-12-29-19-4-2-1-3-17(18)19;1-2-5-17(20)19-10-8-13(9-11-19)15-12-18-16-7-4-3-6-14(15)16;1-2-20-16(19)18-9-7-12(8-10-18)14-11-17-15-6-4-3-5-13(14)15;18-10-15(19)17-7-5-11(6-8-17)13-9-16-14-4-2-1-3-12(13)14/h1-4,9-13,29H,5-8H2;3-4,6-7,12-13,18H,2,5,8-11H2,1H3;3-6,11-12,17H,2,7-10H2,1H3;1-4,9,11,16,18H,5-8,10H2
InChIKeyHPTNNVCIZNBQSS-UHFFFAOYSA-N
XLogP15.27
TPSA173.86 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001241.43
LogP ≤ 515.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze [3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

3-(1H-indol-3-yl)-N-[[3-[3-[4-(3-piperidin-4-ylpropyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-(2-pyridin-4-ylethyl)propanamide;2,2,2-trifluoroacetic acid
CID 21987305
3-(1H-indol-3-yl)-N-(3-phenylpropyl)-N-[[3-[3-[4-(3-piperidin-4-ylpropyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide;2,2,2-trifluoroacetic acid
CID 21987368
(4-Fluorophenyl)-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone;(3-methylphenyl)-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone;phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone;(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 157791330
(E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-[4-hydroxy-4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]prop-2-en-1-one;(E)-3-(3,5-difluorophenyl)-1-[4-hydroxy-4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]prop-2-en-1-one
CID 158586333
(E)-3-(3,5-difluorophenyl)prop-2-enoic acid;ethyl 3-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoate;ethyl 2-[4-(1H-indol-3-yl)piperidin-1-yl]-3-piperidin-4-ylpropanoate;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 158732827
(E)-3-(3,4-difluorophenyl)-1-[4-hydroxy-4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]prop-2-en-1-one;(E)-1-[4-hydroxy-4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 159015409
Cyclopentyl-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-fluorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 160072467
tert-butyl 3-[[(3R,9aR)-2-[3,5-bis(trifluoromethyl)benzoyl]-7-pyridin-4-yl-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazin-3-yl]methyl]indole-1-carboxylate;tert-butyl 3-[[(3R,9aR)-2-[3,5-bis(trifluoromethyl)benzoyl]-7-pyridin-4-yl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-3-yl]methyl]indole-1-carboxylate
CID 160695276
Bis(2-hydroxy-2-oxoacetate);tetrakis([4-(4-methylpiperazin-4-ium-1-yl)indol-1-yl]-phenylmethanone);oxalate;oxalic acid;dihydrate
CID 139204706
2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
CID 158498983
N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[(1S,4S)-5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
CID 134247249
cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone;1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 157866067

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one (CID 158551386) is [3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CCOC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.O=C(CO)N1CCC(c2c[nH]c3ccccc23)CC1.O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one?
The InChIKey is HPTNNVCIZNBQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N2O.C17H22N2O.C16H20N2O2.C15H18N2O2/c23-21(24,25)15-9-14(10-16(11-15)22(26,27)28)20(31)30-7-5-13(6-8-30)18-12-29-19-4-2-1-3-17(18)19;1-2-5-17(20)19-10-8-13(9-11-19)15-12-18-16-7-4-3-6-14(15)16;1-2-20-16(19)18-9-7-12(8-10-18)14-11-17-15-6-4-3-5-13(14)15;18-10-15(19)17-7-5-11(6-8-17)13-9-16-14-4-2-1-3-12(13)14/h1-4,9-13,29H,5-8H2;3-4,6-7,12-13,18H,2,5,8-11H2,1H3;3-6,11-12,17H,2,7-10H2,1H3;1-4,9,11,16,18H,5-8,10H2.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one?
[3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one has a molecular weight of 1241.43 g/mol, XLogP of 15.27, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone;ethyl 4-(1H-indol-3-yl)piperidine-1-carboxylate;2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 158551386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).