N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride

C14H19ClN2O3 — CID 119298938

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc2c1OCCO2)C1CCCNC1
InChIInChI=1S/C14H18N2O3.ClH/c17-14(10-3-2-6-15-9-10)16-11-4-1-5-12-13(11)19-8-7-18-12;/h1,4-5,10,15H,2-3,6-9H2,(H,16,17);1H
InChIKeyZBNHQUARVWVIQD-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.82
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride

N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119298938) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID119298938
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc2c1OCCO2)C1CCCNC1
InChIInChI=1S/C14H18N2O3.ClH/c17-14(10-3-2-6-15-9-10)16-11-4-1-5-12-13(11)19-8-7-18-12;/h1,4-5,10,15H,2-3,6-9H2,(H,16,17);1H
InChIKeyZBNHQUARVWVIQD-UHFFFAOYSA-N
XLogP1.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-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-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119298931
3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119740865
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide
CID 119740871
9-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986921
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-(2-benzamidophenyl)piperidine-3-carboxamide;hydrochloride
CID 119282577
N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740
N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
CID 60945170
N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide
CID 43580743
N-(1-benzofuran-3-yl)piperidine-3-carboxamide
CID 115159864

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride (CID 119298938) is N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc2c1OCCO2)C1CCCNC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is ZBNHQUARVWVIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c17-14(10-3-2-6-15-9-10)16-11-4-1-5-12-13(11)19-8-7-18-12;/h1,4-5,10,15H,2-3,6-9H2,(H,16,17);1H.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride?
N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119298938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).