(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride

C13H17ClN2O3 — CID 119668954

IUPAC(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCCN1
InChIInChI=1S/C13H16N2O3.ClH/c16-13(10-3-1-2-6-14-10)15-9-4-5-11-12(7-9)18-8-17-11;/h4-5,7,10,14H,1-3,6,8H2,(H,15,16);1H/t10-;/m0./s1
InChIKeyDTYJSLBMNFRKIS-PPHPATTJSA-N
MW284.74 g/mol
LogP1.92
Rot. Bonds2

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

(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119668954) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is (2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID119668954
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCCN1
InChIInChI=1S/C13H16N2O3.ClH/c16-13(10-3-1-2-6-14-10)15-9-4-5-11-12(7-9)18-8-17-11;/h4-5,7,10,14H,1-3,6,8H2,(H,15,16);1H/t10-;/m0./s1
InChIKeyDTYJSLBMNFRKIS-PPHPATTJSA-N
XLogP1.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(1,3-benzodioxol-5-yl)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

(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 22691464
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
CID 119669203
N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 24708049
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide
CID 119279066
(2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide
CID 119889210
N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119276718
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride (CID 119668954) is (2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is DTYJSLBMNFRKIS-PPHPATTJSA-N. The full InChI is InChI=1S/C13H16N2O3.ClH/c16-13(10-3-1-2-6-14-10)15-9-4-5-11-12(7-9)18-8-17-11;/h4-5,7,10,14H,1-3,6,8H2,(H,15,16);1H/t10-;/m0./s1.
What are the key properties of (2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 284.74 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119668954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).