5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide

C24H29N3O2 — CID 42977398

IUPAC5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C24H29N3O2/c28-23-17-20(18-27(23)16-13-19-9-3-1-4-10-19)24(29)25-21-11-5-6-12-22(21)26-14-7-2-8-15-26/h1,3-6,9-12,20H,2,7-8,13-18H2,(H,25,29)
InChIKeyWUHPIXRUJINWAR-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.71
Rot. Bonds6

About 5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide

5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 42977398) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID42977398
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C24H29N3O2/c28-23-17-20(18-27(23)16-13-19-9-3-1-4-10-19)24(29)25-21-11-5-6-12-22(21)26-14-7-2-8-15-26/h1,3-6,9-12,20H,2,7-8,13-18H2,(H,25,29)
InChIKeyWUHPIXRUJINWAR-UHFFFAOYSA-N
XLogP3.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24979026
(3R)-5-oxo-1-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922412
(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 51868944
N-(2-benzylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4820474
(3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26084194
5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 43034361
(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 94115136
(3R)-N-(2,5-dichlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26086140
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55660842
N-(4-bromo-2-chlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997343

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide (CID 42977398) is 5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccccc1N1CCCCC1)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is WUHPIXRUJINWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23-17-20(18-27(23)16-13-19-9-3-1-4-10-19)24(29)25-21-11-5-6-12-22(21)26-14-7-2-8-15-26/h1,3-6,9-12,20H,2,7-8,13-18H2,(H,25,29).
What are the key properties of 5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42977398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).