(2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide

C29H29N3O3 — CID 41254769

IUPAC(2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C29H29N3O3/c1-35-23-13-11-22(12-14-23)32-27(33)16-15-25(28(32)20-7-3-2-4-8-20)29(34)30-18-17-21-19-31-26-10-6-5-9-24(21)26/h2-14,19,25,28,31H,15-18H2,1H3,(H,30,34)/t25-,28+/m1/s1
InChIKeyZZTCKTTYBVAJSA-NAKRPHOHSA-N
MW467.57 g/mol
LogP5.02
Rot. Bonds7

About (2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide

(2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 41254769) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is (2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID41254769
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name(2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C29H29N3O3/c1-35-23-13-11-22(12-14-23)32-27(33)16-15-25(28(32)20-7-3-2-4-8-20)29(34)30-18-17-21-19-31-26-10-6-5-9-24(21)26/h2-14,19,25,28,31H,15-18H2,1H3,(H,30,34)/t25-,28+/m1/s1
InChIKeyZZTCKTTYBVAJSA-NAKRPHOHSA-N
XLogP5.02
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide with MolForge

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Related Compounds

(2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 101404404
N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42989394
1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 55345936
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7263441
(2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 9398550
1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 55596931
N-(3-aminopropyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 119408864
1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109134996
(3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29140215
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
(2R,3R)-N-[3-[benzyl(ethyl)amino]propyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 124766985
N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112767965

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide (CID 41254769) is (2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide is COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is ZZTCKTTYBVAJSA-NAKRPHOHSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-35-23-13-11-22(12-14-23)32-27(33)16-15-25(28(32)20-7-3-2-4-8-20)29(34)30-18-17-21-19-31-26-10-6-5-9-24(21)26/h2-14,19,25,28,31H,15-18H2,1H3,(H,30,34)/t25-,28+/m1/s1.
What are the key properties of (2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide?
(2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 41254769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).