N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride

C15H23ClN2O3 — CID 119263557

IUPACN-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2CCCCN2)cc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-13-7-6-11(9-14(13)20-2)10-17-15(18)12-5-3-4-8-16-12;/h6-7,9,12,16H,3-5,8,10H2,1-2H3,(H,17,18);1H
InChIKeyVEAUMSXQFFHKEC-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.88
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride

N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119263557) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119263557
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2CCCCN2)cc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-13-7-6-11(9-14(13)20-2)10-17-15(18)12-5-3-4-8-16-12;/h6-7,9,12,16H,3-5,8,10H2,1-2H3,(H,17,18);1H
InChIKeyVEAUMSXQFFHKEC-UHFFFAOYSA-N
XLogP1.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119295341
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119285265
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 119319806
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119281586
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296053
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride (CID 119263557) is N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride is COc1ccc(CNC(=O)C2CCCCN2)cc1OC.Cl.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is VEAUMSXQFFHKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-19-13-7-6-11(9-14(13)20-2)10-17-15(18)12-5-3-4-8-16-12;/h6-7,9,12,16H,3-5,8,10H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119263557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).