3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide

C15H18N4O3 — CID 146022903

IUPAC3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide
SMILESNC(=O)N1CC(NC(=O)c2cccc(N3CCCC3=O)c2)C1
InChIInChI=1S/C15H18N4O3/c16-15(22)18-8-11(9-18)17-14(21)10-3-1-4-12(7-10)19-6-2-5-13(19)20/h1,3-4,7,11H,2,5-6,8-9H2,(H2,16,22)(H,17,21)
InChIKeyKPWIXJMGLNIDRY-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.31
Rot. Bonds3

About 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide

3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide (PubChem CID 146022903) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide
PubChem CID146022903
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide
SMILESNC(=O)N1CC(NC(=O)c2cccc(N3CCCC3=O)c2)C1
InChIInChI=1S/C15H18N4O3/c16-15(22)18-8-11(9-18)17-14(21)10-3-1-4-12(7-10)19-6-2-5-13(19)20/h1,3-4,7,11H,2,5-6,8-9H2,(H2,16,22)(H,17,21)
InChIKeyKPWIXJMGLNIDRY-UHFFFAOYSA-N
XLogP0.31
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119456953
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119456952
N-(2-methylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 120601523
N-(1-cyclopropylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86921682
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 40952996
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 42457609
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 97011465
N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4063191
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide?
The IUPAC name of 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide (CID 146022903) is 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide.
What is the SMILES notation for 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide?
The canonical SMILES for 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide is NC(=O)N1CC(NC(=O)c2cccc(N3CCCC3=O)c2)C1.
What is the InChIKey of 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide?
The InChIKey is KPWIXJMGLNIDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c16-15(22)18-8-11(9-18)17-14(21)10-3-1-4-12(7-10)19-6-2-5-13(19)20/h1,3-4,7,11H,2,5-6,8-9H2,(H2,16,22)(H,17,21).
What are the key properties of 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide?
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide is sourced from PubChem (CID 146022903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).