1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide

C14H18N2O3 — CID 61212288

IUPAC1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCc2cccc3c2OCO3)CCCC1
InChIInChI=1S/C14H18N2O3/c15-14(6-1-2-7-14)13(17)16-8-10-4-3-5-11-12(10)19-9-18-11/h3-5H,1-2,6-9,15H2,(H,16,17)
InChIKeyXLVOTEOAPICPDW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.30
Rot. Bonds3

About 1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide

1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 61212288) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide
PubChem CID61212288
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCc2cccc3c2OCO3)CCCC1
InChIInChI=1S/C14H18N2O3/c15-14(6-1-2-7-14)13(17)16-8-10-4-3-5-11-12(10)19-9-18-11/h3-5H,1-2,6-9,15H2,(H,16,17)
InChIKeyXLVOTEOAPICPDW-UHFFFAOYSA-N
XLogP1.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide
CID 115294563
2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide
CID 64678994
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide
CID 39058403
2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 79348889
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)butanamide
CID 79023389
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
N-(1,3-benzodioxol-4-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61211918
propyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 112738825
2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide
CID 76895703

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide (CID 61212288) is 1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide is NC1(C(=O)NCc2cccc3c2OCO3)CCCC1.
What is the InChIKey of 1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is XLVOTEOAPICPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-14(6-1-2-7-14)13(17)16-8-10-4-3-5-11-12(10)19-9-18-11/h3-5H,1-2,6-9,15H2,(H,16,17).
What are the key properties of 1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide?
1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 61212288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).