1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide

C21H23N3O4 — CID 46569424

IUPAC1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C21H23N3O4/c25-19-8-4-11-24(19)18-7-2-1-6-17(18)22-20(26)15-5-3-10-23(13-15)21(27)16-9-12-28-14-16/h1-2,6-7,9,12,14-15H,3-5,8,10-11,13H2,(H,22,26)
InChIKeyKJQDVXAEGNOOTP-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.90
Rot. Bonds4

About 1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide

1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 46569424) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID46569424
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C21H23N3O4/c25-19-8-4-11-24(19)18-7-2-1-6-17(18)22-20(26)15-5-3-10-23(13-15)21(27)16-9-12-28-14-16/h1-2,6-7,9,12,14-15H,3-5,8,10-11,13H2,(H,22,26)
InChIKeyKJQDVXAEGNOOTP-UHFFFAOYSA-N
XLogP2.90
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 30806067
N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569506
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569045
(3R)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]oxolane-3-carboxamide
CID 95272394
N-(2-bromo-4-methylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948198
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 41242824
1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 46577074
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46568061
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (CID 46569424) is 1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccccc1N1CCCC1=O)C1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of 1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is KJQDVXAEGNOOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-19-8-4-11-24(19)18-7-2-1-6-17(18)22-20(26)15-5-3-10-23(13-15)21(27)16-9-12-28-14-16/h1-2,6-7,9,12,14-15H,3-5,8,10-11,13H2,(H,22,26).
What are the key properties of 1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 46569424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).