1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide

C16H22N2O2 — CID 62037047

IUPAC1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide
SMILESCCC(C(=O)c1ccccc1)N1CCCCC1C(N)=O
InChIInChI=1S/C16H22N2O2/c1-2-13(15(19)12-8-4-3-5-9-12)18-11-7-6-10-14(18)16(17)20/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H2,17,20)
InChIKeyXPLGXZZQUYQPLX-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.99
Rot. Bonds5

About 1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide

1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide (PubChem CID 62037047) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide
PubChem CID62037047
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide
SMILESCCC(C(=O)c1ccccc1)N1CCCCC1C(N)=O
InChIInChI=1S/C16H22N2O2/c1-2-13(15(19)12-8-4-3-5-9-12)18-11-7-6-10-14(18)16(17)20/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H2,17,20)
InChIKeyXPLGXZZQUYQPLX-UHFFFAOYSA-N
XLogP1.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
1-(2-cyano-1-phenylethyl)piperidine-2-carboxamide
CID 55117539
ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate
CID 64662468
2-(2-carbamothioylpiperidin-1-yl)butanoic acid
CID 64662154
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 62062745
1-phenyl-2-(4-propylpiperidin-1-yl)butan-1-one
CID 63567919
2-(2-benzhydrylpiperidin-1-yl)butanamide
CID 3030424
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 82256528
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-phenylbutan-1-one
CID 79929841
(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
1-phenacylpiperidine-2-carboxamide
CID 60681003
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-phenylbutan-1-one
CID 79943730

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide (CID 62037047) is 1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide is CCC(C(=O)c1ccccc1)N1CCCCC1C(N)=O.
What is the InChIKey of 1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide?
The InChIKey is XPLGXZZQUYQPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-13(15(19)12-8-4-3-5-9-12)18-11-7-6-10-14(18)16(17)20/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H2,17,20).
What are the key properties of 1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide?
1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-1-phenylbutan-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 62037047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).