N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride

C15H21ClN2O3 — CID 119276718

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCCN1)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-10(17-15(18)12-4-2-3-7-16-12)11-5-6-13-14(8-11)20-9-19-13;/h5-6,8,10,12,16H,2-4,7,9H2,1H3,(H,17,18);1H
InChIKeyJNYGKSWSEUXYOL-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.16
Rot. Bonds3

About N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride

N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119276718) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119276718
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCCN1)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-10(17-15(18)12-4-2-3-7-16-12)11-5-6-13-14(8-11)20-9-19-13;/h5-6,8,10,12,16H,2-4,7,9H2,1H3,(H,17,18);1H
InChIKeyJNYGKSWSEUXYOL-UHFFFAOYSA-N
XLogP2.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(1,3-benzodioxol-5-yl)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-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide
CID 43704400
N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119269548
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
4-[1-(1,3-benzodioxol-5-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672858
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954
(2S)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694047
N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119267767
(2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694031
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119276718) is N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride is CC(NC(=O)C1CCCCN1)c1ccc2c(c1)OCO2.Cl.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is JNYGKSWSEUXYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c1-10(17-15(18)12-4-2-3-7-16-12)11-5-6-13-14(8-11)20-9-19-13;/h5-6,8,10,12,16H,2-4,7,9H2,1H3,(H,17,18);1H.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride?
N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119276718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).