(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide

C16H24N2O — CID 93490052

IUPAC(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-13(2)17-16(19)15-9-6-10-18(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyYLMKBINVCFQWPO-OAHLLOKOSA-N
MW260.38 g/mol
LogP2.42
Rot. Bonds4

About (3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide

(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 93490052) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID93490052
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-13(2)17-16(19)15-9-6-10-18(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyYLMKBINVCFQWPO-OAHLLOKOSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride
CID 120507626
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate
CID 95967789
(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 38102289
(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119367101
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 93491358
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
1-benzylpiperidine-3-carbonyl chloride
CID 22006205

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide (CID 93490052) is (3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is YLMKBINVCFQWPO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)17-16(19)15-9-6-10-18(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,17,19)/t15-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide?
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 93490052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).