1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one

C16H31N3O — CID 60932602

IUPAC1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one
SMILESCCN1CCCC(C(C)NC(C)CN2CCCC2=O)C1
InChIInChI=1S/C16H31N3O/c1-4-18-9-5-7-15(12-18)14(3)17-13(2)11-19-10-6-8-16(19)20/h13-15,17H,4-12H2,1-3H3
InChIKeyJAUKTDKDTQRWKZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds6

About 1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one

1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one (PubChem CID 60932602) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one
PubChem CID60932602
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one
SMILESCCN1CCCC(C(C)NC(C)CN2CCCC2=O)C1
InChIInChI=1S/C16H31N3O/c1-4-18-9-5-7-15(12-18)14(3)17-13(2)11-19-10-6-8-16(19)20/h13-15,17H,4-12H2,1-3H3
InChIKeyJAUKTDKDTQRWKZ-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472215
1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 54865964
1-[2-(1-cyclopropylpropylamino)propyl]pyrrolidin-2-one
CID 64918845
N-[1-(1-ethylpiperidin-3-yl)ethyl]hexan-3-amine
CID 62119464
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methylpropan-1-amine
CID 43307395
tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate
CID 107248541
1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 103778451
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43714859
1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 54865939
1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
CID 81351660
5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one
CID 60942690

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one (CID 60932602) is 1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one is CCN1CCCC(C(C)NC(C)CN2CCCC2=O)C1.
What is the InChIKey of 1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one?
The InChIKey is JAUKTDKDTQRWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-18-9-5-7-15(12-18)14(3)17-13(2)11-19-10-6-8-16(19)20/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one?
1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one has a molecular weight of 281.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 60932602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).