1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one

C14H27N3O — CID 54865964

IUPAC1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESCCN1CCC(NC(C)CN2CCCC2=O)CC1
InChIInChI=1S/C14H27N3O/c1-3-16-9-6-13(7-10-16)15-12(2)11-17-8-4-5-14(17)18/h12-13,15H,3-11H2,1-2H3
InChIKeyVAPSRAWRLWQTOV-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds5

About 1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one

1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 54865964) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one
PubChem CID54865964
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESCCN1CCC(NC(C)CN2CCCC2=O)CC1
InChIInChI=1S/C14H27N3O/c1-3-16-9-6-13(7-10-16)15-12(2)11-17-8-4-5-14(17)18/h12-13,15H,3-11H2,1-2H3
InChIKeyVAPSRAWRLWQTOV-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 103778451
1-[2-[(4-methylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 54865939
1-[2-[(1,1-dioxothian-4-yl)amino]propyl]pyrrolidin-2-one
CID 54865825
1-[2-[(1-oxothian-4-yl)amino]propyl]pyrrolidin-2-one
CID 54981585
1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 60935140
1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one
CID 60932602
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
1-[2-[(2-propan-2-ylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 81329280
1-[2-(1-cyclopropylpropylamino)propyl]pyrrolidin-2-one
CID 64918845
1-cyclobutyl-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 136524316
2-(4-aminopiperidin-1-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 79328385
2-(cyclopropylamino)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 54863219

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one (CID 54865964) is 1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one is CCN1CCC(NC(C)CN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is VAPSRAWRLWQTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-16-9-6-13(7-10-16)15-12(2)11-17-8-4-5-14(17)18/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one?
1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 253.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 54865964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).