N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C17H21N3O4 — CID 119618091

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESNc1cc2c(cc1NC(=O)C1CC(=O)N(C3CCCC3)C1)OCO2
InChIInChI=1S/C17H21N3O4/c18-12-6-14-15(24-9-23-14)7-13(12)19-17(22)10-5-16(21)20(8-10)11-3-1-2-4-11/h6-7,10-11H,1-5,8-9,18H2,(H,19,22)
InChIKeyREIIEERPNVCBTM-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.73
Rot. Bonds3

About N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 119618091) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID119618091
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESNc1cc2c(cc1NC(=O)C1CC(=O)N(C3CCCC3)C1)OCO2
InChIInChI=1S/C17H21N3O4/c18-12-6-14-15(24-9-23-14)7-13(12)19-17(22)10-5-16(21)20(8-10)11-3-1-2-4-11/h6-7,10-11H,1-5,8-9,18H2,(H,19,22)
InChIKeyREIIEERPNVCBTM-UHFFFAOYSA-N
XLogP1.73
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 119618037
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119618569
N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119619009
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 119618709
N-(2-amino-5-methoxyphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119420735
N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119618817
(3S)-1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 9364754
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)cycloheptanecarboxamide
CID 62585586
N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119618446
N-(6-amino-1,3-benzodioxol-5-yl)oxane-3-carboxamide;hydrochloride
CID 119618602
1-cyclohexyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2927358
(3R)-1-cyclopentyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364649

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 119618091) is N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is Nc1cc2c(cc1NC(=O)C1CC(=O)N(C3CCCC3)C1)OCO2.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is REIIEERPNVCBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c18-12-6-14-15(24-9-23-14)7-13(12)19-17(22)10-5-16(21)20(8-10)11-3-1-2-4-11/h6-7,10-11H,1-5,8-9,18H2,(H,19,22).
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119618091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).