1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C22H31N3O3 — CID 17153499

IUPAC1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)N3CCCCC3C)cc2)CC1=O
InChIInChI=1S/C22H31N3O3/c1-3-4-12-24-15-18(14-20(24)26)21(27)23-19-10-8-17(9-11-19)22(28)25-13-6-5-7-16(25)2/h8-11,16,18H,3-7,12-15H2,1-2H3,(H,23,27)
InChIKeyCXUKTOQALXXNLO-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.29
Rot. Bonds6

About 1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17153499) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17153499
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)N3CCCCC3C)cc2)CC1=O
InChIInChI=1S/C22H31N3O3/c1-3-4-12-24-15-18(14-20(24)26)21(27)23-19-10-8-17(9-11-19)22(28)25-13-6-5-7-16(25)2/h8-11,16,18H,3-7,12-15H2,1-2H3,(H,23,27)
InChIKeyCXUKTOQALXXNLO-UHFFFAOYSA-N
XLogP3.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-5-oxo-N-[4-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 17018945
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255
(3R)-1-[4-[[(3R)-1-butyl-5-oxopyrrolidine-3-carbonyl]amino]benzoyl]piperidine-3-carboxylic acid
CID 94830864
1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547
ethyl 1-[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]piperidine-4-carboxylate
CID 17153490
(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398060
N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082489
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153541
(3S)-1-butyl-5-oxo-N-[4-(pyridin-4-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41457449
methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate
CID 17153521
1-butyl-N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153454

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 17153499) is 1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)Nc2ccc(C(=O)N3CCCCC3C)cc2)CC1=O.
What is the InChIKey of 1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CXUKTOQALXXNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-4-12-24-15-18(14-20(24)26)21(27)23-19-10-8-17(9-11-19)22(28)25-13-6-5-7-16(25)2/h8-11,16,18H,3-7,12-15H2,1-2H3,(H,23,27).
What are the key properties of 1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.29, 6 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-methylpiperidine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17153499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).