(2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide

C15H22N2OS — CID 93367508

IUPAC(2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
SMILESCSc1ccc(CN(C)C(=O)[C@H]2CCCCN2)cc1
InChIInChI=1S/C15H22N2OS/c1-17(15(18)14-5-3-4-10-16-14)11-12-6-8-13(19-2)9-7-12/h6-9,14,16H,3-5,10-11H2,1-2H3/t14-/m1/s1
InChIKeyGVTHHHVYWNYYQC-CQSZACIVSA-N
MW278.42 g/mol
LogP2.51
Rot. Bonds4

About (2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide

(2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 93367508) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
PubChem CID93367508
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
SMILESCSc1ccc(CN(C)C(=O)[C@H]2CCCCN2)cc1
InChIInChI=1S/C15H22N2OS/c1-17(15(18)14-5-3-4-10-16-14)11-12-6-8-13(19-2)9-7-12/h6-9,14,16H,3-5,10-11H2,1-2H3/t14-/m1/s1
InChIKeyGVTHHHVYWNYYQC-CQSZACIVSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
N,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
CID 114423290
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119694200
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119309836
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide
CID 103808021
(2R)-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-2-carboxamide
CID 103808154
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide (CID 93367508) is (2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide is CSc1ccc(CN(C)C(=O)[C@H]2CCCCN2)cc1.
What is the InChIKey of (2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is GVTHHHVYWNYYQC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-17(15(18)14-5-3-4-10-16-14)11-12-6-8-13(19-2)9-7-12/h6-9,14,16H,3-5,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide?
(2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 93367508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).