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

C16H25ClN2O3 — CID 119263802

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)C2CCCCN2)cc1OC.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-20-14-7-6-12(11-15(14)21-2)8-10-18-16(19)13-5-3-4-9-17-13;/h6-7,11,13,17H,3-5,8-10H2,1-2H3,(H,18,19);1H
InChIKeyZSDUZTROVHRVAO-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.93
Rot. Bonds6

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

N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119263802) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119263802
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)C2CCCCN2)cc1OC.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-20-14-7-6-12(11-15(14)21-2)8-10-18-16(19)13-5-3-4-9-17-13;/h6-7,11,13,17H,3-5,8-10H2,1-2H3,(H,18,19);1H
InChIKeyZSDUZTROVHRVAO-UHFFFAOYSA-N
XLogP1.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119264764
N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
N-[2-(2,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302405
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 119319806
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316858
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119295341
N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119315844

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119263802) is N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is COc1ccc(CCNC(=O)C2CCCCN2)cc1OC.Cl.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is ZSDUZTROVHRVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-20-14-7-6-12(11-15(14)21-2)8-10-18-16(19)13-5-3-4-9-17-13;/h6-7,11,13,17H,3-5,8-10H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119263802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).