(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride

C15H23ClN2O3 — CID 119705002

IUPAC(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCOc1cc(CN(C)C(=O)[C@@H]2CCCCN2)ccc1O.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-17(15(19)12-5-3-4-8-16-12)10-11-6-7-13(18)14(9-11)20-2;/h6-7,9,12,16,18H,3-5,8,10H2,1-2H3;1H/t12-;/m0./s1
InChIKeyGVXGCQWEJNIJJL-YDALLXLXSA-N
MW314.81 g/mol
LogP1.92
Rot. Bonds4

About (2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride

(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride (PubChem CID 119705002) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is (2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
PubChem CID119705002
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCOc1cc(CN(C)C(=O)[C@@H]2CCCCN2)ccc1O.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-17(15(19)12-5-3-4-8-16-12)10-11-6-7-13(18)14(9-11)20-2;/h6-7,9,12,16,18H,3-5,8,10H2,1-2H3;1H/t12-;/m0./s1
InChIKeyGVXGCQWEJNIJJL-YDALLXLXSA-N
XLogP1.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60962824
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119309836
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119279483
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 60962823
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119279464
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272234
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
(2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103808029
(2R)-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-2-carboxamide
CID 103808154
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride (CID 119705002) is (2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride is COc1cc(CN(C)C(=O)[C@@H]2CCCCN2)ccc1O.Cl.
What is the InChIKey of (2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is GVXGCQWEJNIJJL-YDALLXLXSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-17(15(19)12-5-3-4-8-16-12)10-11-6-7-13(18)14(9-11)20-2;/h6-7,9,12,16,18H,3-5,8,10H2,1-2H3;1H/t12-;/m0./s1.
What are the key properties of (2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride?
(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119705002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).