(3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide

C20H25N3O2 — CID 124507659

IUPAC(3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
SMILESCc1cc(=O)n(C)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H25N3O2/c1-15-11-19(24)22(2)14-18(15)21-20(25)17-9-6-10-23(13-17)12-16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,6,9-10,12-13H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyVFDHSXPJVASPPX-QGZVFWFLSA-N
MW339.44 g/mol
LogP2.54
Rot. Bonds4

About (3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide

(3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 124507659) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
PubChem CID124507659
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
SMILESCc1cc(=O)n(C)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H25N3O2/c1-15-11-19(24)22(2)14-18(15)21-20(25)17-9-6-10-23(13-17)12-16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,6,9-10,12-13H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyVFDHSXPJVASPPX-QGZVFWFLSA-N
XLogP2.54
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 801756
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464
methyl 2-[[(3S)-1-benzylpiperidine-3-carbonyl]amino]benzoate
CID 93490753
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
(3S)-1-benzyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 100777396
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide (CID 124507659) is (3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide is Cc1cc(=O)n(C)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is VFDHSXPJVASPPX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-11-19(24)22(2)14-18(15)21-20(25)17-9-6-10-23(13-17)12-16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,6,9-10,12-13H2,1-2H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide?
(3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 124507659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).