[3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone

C19H26N2O3 — CID 84588722

IUPAC[3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESCC(NC1CCN(C(=O)C2CCCC2)C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H26N2O3/c1-13(15-6-7-17-18(10-15)24-12-23-17)20-16-8-9-21(11-16)19(22)14-4-2-3-5-14/h6-7,10,13-14,16,20H,2-5,8-9,11-12H2,1H3
InChIKeyLCBHFTPLFRMVNO-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.86
Rot. Bonds4

About [3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone

[3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone (PubChem CID 84588722) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is [3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone
PubChem CID84588722
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name[3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone
SMILESCC(NC1CCN(C(=O)C2CCCC2)C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H26N2O3/c1-13(15-6-7-17-18(10-15)24-12-23-17)20-16-8-9-21(11-16)19(22)14-4-2-3-5-14/h6-7,10,13-14,16,20H,2-5,8-9,11-12H2,1H3
InChIKeyLCBHFTPLFRMVNO-UHFFFAOYSA-N
XLogP2.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]piperidin-1-yl]ethanone
CID 43434024
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
CID 43190395
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine
CID 61171729
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 43689424
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 134002034
[(3S,4S)-4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-cyclopentylmethanone
CID 56716099
cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone
CID 97160771
(3S)-3-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 35067743
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea
CID 6466690
1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine
CID 79458936
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51326046

Frequently Asked Questions

What is the IUPAC name of [3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone (CID 84588722) is [3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone is CC(NC1CCN(C(=O)C2CCCC2)C1)c1ccc2c(c1)OCO2.
What is the InChIKey of [3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone?
The InChIKey is LCBHFTPLFRMVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(15-6-7-17-18(10-15)24-12-23-17)20-16-8-9-21(11-16)19(22)14-4-2-3-5-14/h6-7,10,13-14,16,20H,2-5,8-9,11-12H2,1H3.
What are the key properties of [3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone?
[3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone has a molecular weight of 330.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 84588722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).