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

C29H29N3O2 — CID 101404404

IUPAC(2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C29H29N3O2/c33-27-16-15-25(29(34)30-18-17-23-19-31-26-14-8-7-13-24(23)26)28(22-11-5-2-6-12-22)32(27)20-21-9-3-1-4-10-21/h1-14,19,25,28,31H,15-18,20H2,(H,30,34)/t25-,28+/m1/s1
InChIKeyWOIWFJXPTCKHFB-NAKRPHOHSA-N
MW451.57 g/mol
LogP5.01
Rot. Bonds7

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

(2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 101404404) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is (2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID101404404
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name(2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C29H29N3O2/c33-27-16-15-25(29(34)30-18-17-23-19-31-26-14-8-7-13-24(23)26)28(22-11-5-2-6-12-22)32(27)20-21-9-3-1-4-10-21/h1-14,19,25,28,31H,15-18,20H2,(H,30,34)/t25-,28+/m1/s1
InChIKeyWOIWFJXPTCKHFB-NAKRPHOHSA-N
XLogP5.01
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 95761596
(2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 41254769
4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid
CID 119170729
1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109134996
1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 119429433
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119509741
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86950512
1-benzyl-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110614844
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135314
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 45490449

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide (CID 101404404) is (2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is WOIWFJXPTCKHFB-NAKRPHOHSA-N. The full InChI is InChI=1S/C29H29N3O2/c33-27-16-15-25(29(34)30-18-17-23-19-31-26-14-8-7-13-24(23)26)28(22-11-5-2-6-12-22)32(27)20-21-9-3-1-4-10-21/h1-14,19,25,28,31H,15-18,20H2,(H,30,34)/t25-,28+/m1/s1.
What are the key properties of (2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
(2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 101404404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).