(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide

C16H24N2O — CID 99970401

IUPAC(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
SMILESCC[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-15(13-8-5-4-6-9-13)17-16(19)14-10-7-11-18(2)12-14/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3,(H,17,19)/t14-,15+/m1/s1
InChIKeyKZHLTFAZWDCGTH-CABCVRRESA-N
MW260.38 g/mol
LogP2.60
Rot. Bonds4

About (3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide

(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide (PubChem CID 99970401) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
PubChem CID99970401
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
SMILESCC[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-15(13-8-5-4-6-9-13)17-16(19)14-10-7-11-18(2)12-14/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3,(H,17,19)/t14-,15+/m1/s1
InChIKeyKZHLTFAZWDCGTH-CABCVRRESA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-1-methylpiperidine-3-carboxamide
CID 132650365
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
3-[(1-methylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 60922108
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 38018238
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
(3R)-N-[(1S)-1-phenylpropyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94019844
N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
3-N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 103944669
N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
CID 142138153
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
1-ethylsulfonyl-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 50946502
(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 95118826

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide (CID 99970401) is (3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide is CC[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1.
What is the InChIKey of (3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide?
The InChIKey is KZHLTFAZWDCGTH-CABCVRRESA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-15(13-8-5-4-6-9-13)17-16(19)14-10-7-11-18(2)12-14/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3,(H,17,19)/t14-,15+/m1/s1.
What are the key properties of (3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide?
(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide is sourced from PubChem (CID 99970401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).