3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride

C13H17ClN2O3 — CID 119668947

IUPAC3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C13H16N2O3.ClH/c14-9-2-1-8(5-9)13(16)15-10-3-4-11-12(6-10)18-7-17-11;/h3-4,6,8-9H,1-2,5,7,14H2,(H,15,16);1H
InChIKeyWGCJLDCZWSZNGU-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.90
Rot. Bonds2

About 3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119668947) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119668947
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C13H16N2O3.ClH/c14-9-2-1-8(5-9)13(16)15-10-3-4-11-12(6-10)18-7-17-11;/h3-4,6,8-9H,1-2,5,7,14H2,(H,15,16);1H
InChIKeyWGCJLDCZWSZNGU-UHFFFAOYSA-N
XLogP1.90
TPSA73.58 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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 66031472
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119728515
3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide
CID 66030886
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
CID 110863146
N-(1,3-benzodioxol-5-yl)-1,1-dioxothiane-4-carboxamide
CID 110863226
1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150450
4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide
CID 79210516
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
5-amino-N-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxamide
CID 77046165
3-amino-N-quinoxalin-6-ylcyclopentane-1-carboxamide;hydrochloride
CID 119708395

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119668947) is 3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)Nc2ccc3c(c2)OCO3)C1.
What is the InChIKey of 3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is WGCJLDCZWSZNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3.ClH/c14-9-2-1-8(5-9)13(16)15-10-3-4-11-12(6-10)18-7-17-11;/h3-4,6,8-9H,1-2,5,7,14H2,(H,15,16);1H.
What are the key properties of 3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 284.74 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119668947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).