N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride

C14H19ClN2O3 — CID 119298906

IUPACN-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc2c1OCO2)C1CCCCN1
InChIInChI=1S/C14H18N2O3.ClH/c17-14(11-5-1-2-7-15-11)16-8-10-4-3-6-12-13(10)19-9-18-12;/h3-4,6,11,15H,1-2,5,7-9H2,(H,16,17);1H
InChIKeyBWFRDAWLGJUBMN-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.60
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride

N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119298906) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119298906
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc2c1OCO2)C1CCCCN1
InChIInChI=1S/C14H18N2O3.ClH/c17-14(11-5-1-2-7-15-11)16-8-10-4-3-6-12-13(10)19-9-18-12;/h3-4,6,11,15H,1-2,5,7-9H2,(H,16,17);1H
InChIKeyBWFRDAWLGJUBMN-UHFFFAOYSA-N
XLogP1.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-4-ylmethyl)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-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide
CID 114428687
N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779033
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
N-(1,3-benzodioxol-4-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892288
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
(2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926614
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119861656
9-amino-N-(1,3-benzodioxol-4-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987062
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride (CID 119298906) is N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1cccc2c1OCO2)C1CCCCN1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is BWFRDAWLGJUBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c17-14(11-5-1-2-7-15-11)16-8-10-4-3-6-12-13(10)19-9-18-12;/h3-4,6,11,15H,1-2,5,7-9H2,(H,16,17);1H.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride?
N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119298906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).