1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide

C22H25N3O2 — CID 24979026

IUPAC1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C22H25N3O2/c26-21-14-18(16-25(21)15-17-8-2-1-3-9-17)22(27)23-19-10-4-5-11-20(19)24-12-6-7-13-24/h1-5,8-11,18H,6-7,12-16H2,(H,23,27)
InChIKeyFGOUOCJOXAXUBB-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.27
Rot. Bonds5

About 1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide

1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 24979026) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID24979026
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C22H25N3O2/c26-21-14-18(16-25(21)15-17-8-2-1-3-9-17)22(27)23-19-10-4-5-11-20(19)24-12-6-7-13-24/h1-5,8-11,18H,6-7,12-16H2,(H,23,27)
InChIKeyFGOUOCJOXAXUBB-UHFFFAOYSA-N
XLogP3.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 42977398
(3S)-1-benzyl-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 25331872
1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17396518
1-benzyl-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
CID 16545680
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 41118744
(3R)-1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40625044
1-benzyl-N-[2-(2-chlorophenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 24514266
1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 154759959
1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 17401411
N-(2-benzylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904791

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide (CID 24979026) is 1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccccc1N1CCCC1)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is FGOUOCJOXAXUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21-14-18(16-25(21)15-17-8-2-1-3-9-17)22(27)23-19-10-4-5-11-20(19)24-12-6-7-13-24/h1-5,8-11,18H,6-7,12-16H2,(H,23,27).
What are the key properties of 1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 24979026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).