5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one

C19H22N2O3 — CID 90900163

IUPAC5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one
SMILESCC(NC1CCC(c2ccc(=O)[nH]c2)C1)c1cccc2c1OCO2
InChIInChI=1S/C19H22N2O3/c1-12(16-3-2-4-17-19(16)24-11-23-17)21-15-7-5-13(9-15)14-6-8-18(22)20-10-14/h2-4,6,8,10,12-13,15,21H,5,7,9,11H2,1H3,(H,20,22)
InChIKeyAXPMJZJBNBZDJO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.09
Rot. Bonds4

About 5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one

5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one (PubChem CID 90900163) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one
PubChem CID90900163
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one
SMILESCC(NC1CCC(c2ccc(=O)[nH]c2)C1)c1cccc2c1OCO2
InChIInChI=1S/C19H22N2O3/c1-12(16-3-2-4-17-19(16)24-11-23-17)21-15-7-5-13(9-15)14-6-8-18(22)20-10-14/h2-4,6,8,10,12-13,15,21H,5,7,9,11H2,1H3,(H,20,22)
InChIKeyAXPMJZJBNBZDJO-UHFFFAOYSA-N
XLogP3.09
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dihydropiperlonguminine
CID 12682184
(E)-3-(1,3-benzodioxol-5-yl)-N-cyclohexylprop-2-enamide
CID 692702
(E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide
CID 871734
(2E,4E)-N-isobutyl-7-(3,4-methylenedioxyphenyl)-hepta-2,4-dienamide
CID 637860
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 5320157
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)acrylamide
CID 840082
(2E)-N-(1,3-benzodioxol-5-ylmethyl)-3-phenylprop-2-enamide
CID 867830
(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2704683
Propenamide, 2-acetylamino-3-(3,4-methylenedioxyphenyl)-N-benzyl-
CID 1603017
(2E,4E,6E,8E)-N-(1,3-benzodioxol-5-ylmethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 12799135
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-benzylpenta-2,4-dienamide
CID 44345471
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-cyclopentylpenta-2,4-dienamide
CID 53302835

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one (CID 90900163) is 5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one is CC(NC1CCC(c2ccc(=O)[nH]c2)C1)c1cccc2c1OCO2.
What is the InChIKey of 5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one?
The InChIKey is AXPMJZJBNBZDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12(16-3-2-4-17-19(16)24-11-23-17)21-15-7-5-13(9-15)14-6-8-18(22)20-10-14/h2-4,6,8,10,12-13,15,21H,5,7,9,11H2,1H3,(H,20,22).
What are the key properties of 5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one?
5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(1,3-benzodioxol-4-yl)ethylamino]cyclopentyl]-1H-pyridin-2-one is sourced from PubChem (CID 90900163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).