(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide

C17H26N2O2 — CID 120629959

IUPAC(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1C
InChIInChI=1S/C17H26N2O2/c1-12-9-14(5-6-16(12)21-4)11-19(3)17(20)15-7-8-18-13(2)10-15/h5-6,9,13,15,18H,7-8,10-11H2,1-4H3/t13-,15-/m0/s1
InChIKeyQMLHXYPJBJMSLX-ZFWWWQNUSA-N
MW290.41 g/mol
LogP2.35
Rot. Bonds4

About (2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide

(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide (PubChem CID 120629959) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
PubChem CID120629959
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1C
InChIInChI=1S/C17H26N2O2/c1-12-9-14(5-6-16(12)21-4)11-19(3)17(20)15-7-8-18-13(2)10-15/h5-6,9,13,15,18H,7-8,10-11H2,1-4H3/t13-,15-/m0/s1
InChIKeyQMLHXYPJBJMSLX-ZFWWWQNUSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120621587
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120617586
(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120640700
(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 120618816
(2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624510
N-[(4-methoxy-3-methylphenyl)methyl]-N-methylmorpholine-2-carboxamide
CID 119766949
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 60962823
N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-3-piperidin-4-ylprop-2-ynamide
CID 167980697
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 120618998
(2S,4S)-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624705

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide (CID 120629959) is (2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide is COc1ccc(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1C.
What is the InChIKey of (2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide?
The InChIKey is QMLHXYPJBJMSLX-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-9-14(5-6-16(12)21-4)11-19(3)17(20)15-7-8-18-13(2)10-15/h5-6,9,13,15,18H,7-8,10-11H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of (2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide?
(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 120629959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).