1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one

C113H118N12O5 — CID 157395476

IUPAC1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1cccc(-c2ccc3c(ccn3CC3CCN(C(=O)CCc4ccccc4)CC3)c2)n1.O=C(CCc1ccccc1)N1CCC(Cn2ccc3cc(-c4ccccn4)ccc32)CC1.O=C(CCc1ccccc1)N1CCC(Cn2ccc3cc(-c4cnccn4)ccc32)CC1.O=C1C=CC=C(c2ccc3c(ccn3CC3CCN(C(=O)CCc4ccccc4)CC3)c2)C1
InChIInChI=1S/C29H31N3O.C29H30N2O2.C28H29N3O.C27H28N4O/c1-22-6-5-9-27(30-22)25-11-12-28-26(20-25)16-19-32(28)21-24-14-17-31(18-15-24)29(33)13-10-23-7-3-2-4-8-23;32-27-8-4-7-24(20-27)25-10-11-28-26(19-25)15-18-31(28)21-23-13-16-30(17-14-23)29(33)12-9-22-5-2-1-3-6-22;32-28(12-9-22-6-2-1-3-7-22)30-17-13-23(14-18-30)21-31-19-15-25-20-24(10-11-27(25)31)26-8-4-5-16-29-26;32-27(9-6-21-4-2-1-3-5-21)30-15-10-22(11-16-30)20-31-17-12-24-18-23(7-8-26(24)31)25-19-28-13-14-29-25/h2-9,11-12,16,19-20,24H,10,13-15,17-18,21H2,1H3;1-8,10-11,15,18-19,23H,9,12-14,16-17,20-21H2;1-8,10-11,15-16,19-20,23H,9,12-14,17-18,21H2;1-5,7-8,12-14,17-19,22H,6,9-11,15-16,20H2
InChIKeyBMNDILLOAKJRDI-UHFFFAOYSA-N
MW1724.27 g/mol
LogP21.85
Rot. Bonds24

About 1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one

1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 157395476) has the molecular formula C113H118N12O5 and a molecular weight of 1724.27 g/mol. Its IUPAC name is 1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID157395476
Molecular FormulaC113H118N12O5
Molecular Weight1724.27 g/mol
Exact Mass1722.93
IUPAC Name1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1cccc(-c2ccc3c(ccn3CC3CCN(C(=O)CCc4ccccc4)CC3)c2)n1.O=C(CCc1ccccc1)N1CCC(Cn2ccc3cc(-c4ccccn4)ccc32)CC1.O=C(CCc1ccccc1)N1CCC(Cn2ccc3cc(-c4cnccn4)ccc32)CC1.O=C1C=CC=C(c2ccc3c(ccn3CC3CCN(C(=O)CCc4ccccc4)CC3)c2)C1
InChIInChI=1S/C29H31N3O.C29H30N2O2.C28H29N3O.C27H28N4O/c1-22-6-5-9-27(30-22)25-11-12-28-26(20-25)16-19-32(28)21-24-14-17-31(18-15-24)29(33)13-10-23-7-3-2-4-8-23;32-27-8-4-7-24(20-27)25-10-11-28-26(19-25)15-18-31(28)21-23-13-16-30(17-14-23)29(33)12-9-22-5-2-1-3-6-22;32-28(12-9-22-6-2-1-3-7-22)30-17-13-23(14-18-30)21-31-19-15-25-20-24(10-11-27(25)31)26-8-4-5-16-29-26;32-27(9-6-21-4-2-1-3-5-21)30-15-10-22(11-16-30)20-31-17-12-24-18-23(7-8-26(24)31)25-19-28-13-14-29-25/h2-9,11-12,16,19-20,24H,10,13-15,17-18,21H2,1H3;1-8,10-11,15,18-19,23H,9,12-14,16-17,20-21H2;1-8,10-11,15-16,19-20,23H,9,12-14,17-18,21H2;1-5,7-8,12-14,17-19,22H,6,9-11,15-16,20H2
InChIKeyBMNDILLOAKJRDI-UHFFFAOYSA-N
XLogP21.85
TPSA169.59 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001724.27
LogP ≤ 521.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-[4-[4-[2-(1,3-Dimethylindol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798374
1-[4-[4-[4-[2-(1-Methylindol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798382
tert-butyl 3-[[(3R,9aR)-2-[3,5-bis(trifluoromethyl)benzoyl]-7-pyrazin-2-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-pyrazin-2-yl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-3-yl]methyl]indole-1-carboxylate
CID 157185254
(4R)-1-[5-(aminomethyl)-3H-inden-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157264500
3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 158339379
2-[3-(3-Butylphenyl)-4-fluorobenzene-6-id-1-yl]-5-methylpyridine;2-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline);pentakis(iridium);9-[3-[3-[5-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)benzene-4-id-1-yl]phenyl]phenyl]carbazole;pentane-2,4-dione;2,2,6,6-tetramethylheptane-3,5-dione
CID 158583832
N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium
CID 448157
N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 5288115
(2S)-2-(methylamino)-N-[(2S)-3-methyl-1-[(2S)-2-[5-[3-[4-[1-[5-[(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]-3-pyridinyl]indole-3-carbonyl]piperazine-1-carbonyl]indol-1-yl]-3-pyridinyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]propanamide
CID 57405690
bis(9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]carbazole);[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium
CID 58695367
[1-[2-(Azepan-1-yl)ethyl]indol-5-yl]-(4-cyclopentylpiperazin-1-yl)methanone;(4-cyclopentylpiperazin-1-yl)-[1-(2-piperidin-1-ylethyl)indol-5-yl]methanone
CID 69272012
1-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 87525446

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 157395476) is 1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one is Cc1cccc(-c2ccc3c(ccn3CC3CCN(C(=O)CCc4ccccc4)CC3)c2)n1.O=C(CCc1ccccc1)N1CCC(Cn2ccc3cc(-c4ccccn4)ccc32)CC1.O=C(CCc1ccccc1)N1CCC(Cn2ccc3cc(-c4cnccn4)ccc32)CC1.O=C1C=CC=C(c2ccc3c(ccn3CC3CCN(C(=O)CCc4ccccc4)CC3)c2)C1.
What is the InChIKey of 1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is BMNDILLOAKJRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O.C29H30N2O2.C28H29N3O.C27H28N4O/c1-22-6-5-9-27(30-22)25-11-12-28-26(20-25)16-19-32(28)21-24-14-17-31(18-15-24)29(33)13-10-23-7-3-2-4-8-23;32-27-8-4-7-24(20-27)25-10-11-28-26(19-25)15-18-31(28)21-23-13-16-30(17-14-23)29(33)12-9-22-5-2-1-3-6-22;32-28(12-9-22-6-2-1-3-7-22)30-17-13-23(14-18-30)21-31-19-15-25-20-24(10-11-27(25)31)26-8-4-5-16-29-26;32-27(9-6-21-4-2-1-3-5-21)30-15-10-22(11-16-30)20-31-17-12-24-18-23(7-8-26(24)31)25-19-28-13-14-29-25/h2-9,11-12,16,19-20,24H,10,13-15,17-18,21H2,1H3;1-8,10-11,15,18-19,23H,9,12-14,16-17,20-21H2;1-8,10-11,15-16,19-20,23H,9,12-14,17-18,21H2;1-5,7-8,12-14,17-19,22H,6,9-11,15-16,20H2.
What are the key properties of 1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one?
1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 1724.27 g/mol, XLogP of 21.85, 24 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(6-methyl-2-pyridinyl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;5-[1-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]indol-5-yl]cyclohexa-2,4-dien-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one;3-phenyl-1-[4-[(5-pyridin-2-ylindol-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 157395476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).