1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide

C13H15NO4 — CID 82131293

IUPAC1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(Oc2ccc3c(c2)OCO3)CCCC1
InChIInChI=1S/C13H15NO4/c14-12(15)13(5-1-2-6-13)18-9-3-4-10-11(7-9)17-8-16-10/h3-4,7H,1-2,5-6,8H2,(H2,14,15)
InChIKeyVGNPHULJGMZJNB-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.59
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide

1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide (PubChem CID 82131293) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide
PubChem CID82131293
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(Oc2ccc3c(c2)OCO3)CCCC1
InChIInChI=1S/C13H15NO4/c14-12(15)13(5-1-2-6-13)18-9-3-4-10-11(7-9)17-8-16-10/h3-4,7H,1-2,5-6,8H2,(H2,14,15)
InChIKeyVGNPHULJGMZJNB-UHFFFAOYSA-N
XLogP1.59
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl 2-aminoacetate
CID 82112116
2-(1,3-benzodioxol-5-yloxy)butanamide
CID 62901253
(E)-1-(1-aminocyclopentyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
CID 25151508
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465
4-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 56894278
2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 171132856
1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide
CID 39058403
(3S)-3-(1,3-benzodioxol-5-yloxy)butan-2-one
CID 6934005
5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-benzodioxole
CID 65001390
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
methyl 1-[amino(1,3-benzodioxol-5-yl)methyl]cyclobutane-1-carboxylate
CID 116944302

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide (CID 82131293) is 1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide is NC(=O)C1(Oc2ccc3c(c2)OCO3)CCCC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide?
The InChIKey is VGNPHULJGMZJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c14-12(15)13(5-1-2-6-13)18-9-3-4-10-11(7-9)17-8-16-10/h3-4,7H,1-2,5-6,8H2,(H2,14,15).
What are the key properties of 1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide?
1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yloxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 82131293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).