N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide

C14H18N2O2 — CID 107653612

IUPACN-benzyl-3-methyl-4-oxopiperidine-1-carboxamide
SMILESCC1CN(C(=O)NCc2ccccc2)CCC1=O
InChIInChI=1S/C14H18N2O2/c1-11-10-16(8-7-13(11)17)14(18)15-9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,18)
InChIKeyCOJMVFPOSSKWQR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.81
Rot. Bonds2

About N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide

N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide (PubChem CID 107653612) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-4-oxopiperidine-1-carboxamide
PubChem CID107653612
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-benzyl-3-methyl-4-oxopiperidine-1-carboxamide
SMILESCC1CN(C(=O)NCc2ccccc2)CCC1=O
InChIInChI=1S/C14H18N2O2/c1-11-10-16(8-7-13(11)17)14(18)15-9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,18)
InChIKeyCOJMVFPOSSKWQR-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
N-benzyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 103876130
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide
CID 110746835
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 110810660
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide
CID 74251214
N-[2-oxo-2-(4-oxo-3-phenylpiperidin-1-yl)ethyl]acetamide
CID 11999738

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide?
The IUPAC name of N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide (CID 107653612) is N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide is CC1CN(C(=O)NCc2ccccc2)CCC1=O.
What is the InChIKey of N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide?
The InChIKey is COJMVFPOSSKWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-10-16(8-7-13(11)17)14(18)15-9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,18).
What are the key properties of N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide?
N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide is sourced from PubChem (CID 107653612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).