(3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide

C16H24N2O — CID 95904024

IUPAC(3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1
InChIInChI=1S/C16H24N2O/c1-12-6-8-14(9-7-12)13(2)17-16(19)15-5-4-10-18(3)11-15/h6-9,13,15H,4-5,10-11H2,1-3H3,(H,17,19)/t13-,15+/m0/s1
InChIKeyLVZXCRFWJHFQJP-DZGCQCFKSA-N
MW260.38 g/mol
LogP2.51
Rot. Bonds3

About (3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide

(3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 95904024) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID95904024
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1
InChIInChI=1S/C16H24N2O/c1-12-6-8-14(9-7-12)13(2)17-16(19)15-5-4-10-18(3)11-15/h6-9,13,15H,4-5,10-11H2,1-3H3,(H,17,19)/t13-,15+/m0/s1
InChIKeyLVZXCRFWJHFQJP-DZGCQCFKSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95706399
(3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 99970387
(3S)-1-methyl-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 99970531
(3R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 95396939
(3S)-N-[(1S)-1-(4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073136
(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99970521
(3R)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 94024103
N-benzhydryl-1-methylpiperidine-3-carboxamide
CID 132650365
(3S)-1-[1-(4-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119655
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3S)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 28635945
(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 28635944

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide (CID 95904024) is (3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide is Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1.
What is the InChIKey of (3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is LVZXCRFWJHFQJP-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-6-8-14(9-7-12)13(2)17-16(19)15-5-4-10-18(3)11-15/h6-9,13,15H,4-5,10-11H2,1-3H3,(H,17,19)/t13-,15+/m0/s1.
What are the key properties of (3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
(3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.51, 3 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-(4-methylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95904024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).