N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride

C14H19ClN2O3 — CID 119261589

IUPACN-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2c(c1)OCO2)C1CCNCC1
InChIInChI=1S/C14H18N2O3.ClH/c17-14(11-3-5-15-6-4-11)16-8-10-1-2-12-13(7-10)19-9-18-12;/h1-2,7,11,15H,3-6,8-9H2,(H,16,17);1H
InChIKeyLGWPHVXSMMPCFY-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.45
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride

N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119261589) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119261589
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2c(c1)OCO2)C1CCNCC1
InChIInChI=1S/C14H18N2O3.ClH/c17-14(11-3-5-15-6-4-11)16-8-10-1-2-12-13(7-10)19-9-18-12;/h1-2,7,11,15H,3-6,8-9H2,(H,16,17);1H
InChIKeyLGWPHVXSMMPCFY-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-4-carboxamide
CID 98037542
N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249260
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 27658957
1-(1,3-benzodioxol-5-ylmethyl)-3-(cyclopropanecarbonylamino)thiourea
CID 7941644
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224404
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide
CID 119307672
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119268706
(2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 154923238
N-(1,3-benzodioxol-5-ylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 5154889
N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507243

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride (CID 119261589) is N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(NCc1ccc2c(c1)OCO2)C1CCNCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is LGWPHVXSMMPCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c17-14(11-3-5-15-6-4-11)16-8-10-1-2-12-13(7-10)19-9-18-12;/h1-2,7,11,15H,3-6,8-9H2,(H,16,17);1H.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride?
N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.45, 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-5-ylmethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119261589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).