1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide

C24H29N3O2 — CID 119509741

IUPAC1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCN1)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H29N3O2/c28-22-14-13-21(24(29)26-16-20-12-7-15-25-20)23(19-10-5-2-6-11-19)27(22)17-18-8-3-1-4-9-18/h1-6,8-11,20-21,23,25H,7,12-17H2,(H,26,29)
InChIKeyDLMBBCGUNMWSGD-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.03
Rot. Bonds6

About 1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide

1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 119509741) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID119509741
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCN1)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H29N3O2/c28-22-14-13-21(24(29)26-16-20-12-7-15-25-20)23(19-10-5-2-6-11-19)27(22)17-18-8-3-1-4-9-18/h1-6,8-11,20-21,23,25H,7,12-17H2,(H,26,29)
InChIKeyDLMBBCGUNMWSGD-UHFFFAOYSA-N
XLogP3.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 95761596
4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid
CID 119170729
1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86950512
1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 119429433
(2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 101404404
(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
CID 101404403
1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride
CID 119400053
1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86896722
1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 47060248
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119514347
1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86847999
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide (CID 119509741) is 1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCC1CCCN1)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is DLMBBCGUNMWSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-22-14-13-21(24(29)26-16-20-12-7-15-25-20)23(19-10-5-2-6-11-19)27(22)17-18-8-3-1-4-9-18/h1-6,8-11,20-21,23,25H,7,12-17H2,(H,26,29).
What are the key properties of 1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide?
1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 119509741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).