(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide

C15H22N2O2 — CID 120616660

IUPAC(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C15H22N2O2/c1-11-9-12(7-8-16-11)15(18)17-10-13-5-3-4-6-14(13)19-2/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyKYYDXHZRCKIWHB-RYUDHWBXSA-N
MW262.35 g/mol
LogP1.70
Rot. Bonds4

About (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120616660) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
PubChem CID120616660
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C15H22N2O2/c1-11-9-12(7-8-16-11)15(18)17-10-13-5-3-4-6-14(13)19-2/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1
InChIKeyKYYDXHZRCKIWHB-RYUDHWBXSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192
(2S,4S)-N-[(4-chloro-2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631755
(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120631457
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
(2S,4S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120630600
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618500
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 135102017
(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631658
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide (CID 120616660) is (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide is COc1ccccc1CNC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is KYYDXHZRCKIWHB-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-12(7-8-16-11)15(18)17-10-13-5-3-4-6-14(13)19-2/h3-6,11-12,16H,7-10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120616660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).