1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide

C21H31N3O2 — CID 119038243

IUPAC1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide
SMILESCCCCN1CCCCC1C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H31N3O2/c1-2-3-13-23-14-5-4-7-19(23)21(26)22-16-17-9-11-18(12-10-17)24-15-6-8-20(24)25/h9-12,19H,2-8,13-16H2,1H3,(H,22,26)
InChIKeyHOBJZQSTVBASMU-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.08
Rot. Bonds7

About 1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide

1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 119038243) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide
PubChem CID119038243
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide
SMILESCCCCN1CCCCC1C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H31N3O2/c1-2-3-13-23-14-5-4-7-19(23)21(26)22-16-17-9-11-18(12-10-17)24-15-6-8-20(24)25/h9-12,19H,2-8,13-16H2,1H3,(H,22,26)
InChIKeyHOBJZQSTVBASMU-UHFFFAOYSA-N
XLogP3.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110013970
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 43013798
(2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide
CID 119694507
1-(4-methylphenyl)-2-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 60566003
(2S)-1-(4-methoxyphenyl)sulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 42121488
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 119303551
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
2-N-cyclopropyl-1-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 136577311
1-butyl-2-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111151603
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of 1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide (CID 119038243) is 1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide is CCCCN1CCCCC1C(=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is HOBJZQSTVBASMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-2-3-13-23-14-5-4-7-19(23)21(26)22-16-17-9-11-18(12-10-17)24-15-6-8-20(24)25/h9-12,19H,2-8,13-16H2,1H3,(H,22,26).
What are the key properties of 1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide?
1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119038243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).