N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride

C15H21ClN2O3 — CID 119474135

IUPACN-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccc2c(c1)OCO2)C1CCCNC1.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-10(12-3-2-6-16-8-12)17-15(18)11-4-5-13-14(7-11)20-9-19-13;/h4-5,7,10,12,16H,2-3,6,8-9H2,1H3,(H,17,18);1H
InChIKeyFQCLEHWVFVVWSA-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.96
Rot. Bonds3

About N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride

N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride (PubChem CID 119474135) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
PubChem CID119474135
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccc2c(c1)OCO2)C1CCCNC1.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-10(12-3-2-6-16-8-12)17-15(18)11-4-5-13-14(7-11)20-9-19-13;/h4-5,7,10,12,16H,2-3,6,8-9H2,1H3,(H,17,18);1H
InChIKeyFQCLEHWVFVVWSA-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 43523228
N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51464805
3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523133
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934
3-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 43523136
N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 62032705
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
2-oxo-N-(1-piperidin-3-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119474020
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119699863
1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119703462
N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide
CID 104671340
3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 113360884

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
The IUPAC name of N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride (CID 119474135) is N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride is CC(NC(=O)c1ccc2c(c1)OCO2)C1CCCNC1.Cl.
What is the InChIKey of N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
The InChIKey is FQCLEHWVFVVWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c1-10(12-3-2-6-16-8-12)17-15(18)11-4-5-13-14(7-11)20-9-19-13;/h4-5,7,10,12,16H,2-3,6,8-9H2,1H3,(H,17,18);1H.
What are the key properties of N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119474135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).