3-piperazin-1-yl-1-propylpyrrolidin-2-one

C11H21N3O — CID 82470862

IUPAC3-piperazin-1-yl-1-propylpyrrolidin-2-one
SMILESCCCN1CCC(N2CCNCC2)C1=O
InChIInChI=1S/C11H21N3O/c1-2-6-14-7-3-10(11(14)15)13-8-4-12-5-9-13/h10,12H,2-9H2,1H3
InChIKeyMKDQFTFSUSOBRI-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.10
Rot. Bonds3

About 3-piperazin-1-yl-1-propylpyrrolidin-2-one

3-piperazin-1-yl-1-propylpyrrolidin-2-one (PubChem CID 82470862) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name3-piperazin-1-yl-1-propylpyrrolidin-2-one
PubChem CID82470862
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-piperazin-1-yl-1-propylpyrrolidin-2-one
SMILESCCCN1CCC(N2CCNCC2)C1=O
InChIInChI=1S/C11H21N3O/c1-2-6-14-7-3-10(11(14)15)13-8-4-12-5-9-13/h10,12H,2-9H2,1H3
InChIKeyMKDQFTFSUSOBRI-UHFFFAOYSA-N
XLogP-0.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,4-diazepan-1-yl)-1-propylpyrrolidine-2,5-dione
CID 43636514
2-propyl-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944247
3-(1,1-difluoroethyl)-1-propylpyrrolidin-2-one
CID 142372410
(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
CID 67060834
3-dodecyl-1-propylpyrrolidin-2-one
CID 10149503
3-(1,4-diazepan-1-yl)-1-methylpyrrolidine-2,5-dione
CID 43635976
3-(azetidin-1-yl)-1-prop-2-enylpyrrolidin-2-one
CID 130677439
(2S)-2-hydroxy-5-piperazin-1-ylcyclopentan-1-one
CID 118703110
3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione
CID 159200633
2-(2-piperazin-1-ylethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79941252
3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636511
(8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione
CID 165486723

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1-propylpyrrolidin-2-one?
The IUPAC name of 3-piperazin-1-yl-1-propylpyrrolidin-2-one (CID 82470862) is 3-piperazin-1-yl-1-propylpyrrolidin-2-one.
What is the SMILES notation for 3-piperazin-1-yl-1-propylpyrrolidin-2-one?
The canonical SMILES for 3-piperazin-1-yl-1-propylpyrrolidin-2-one is CCCN1CCC(N2CCNCC2)C1=O.
What is the InChIKey of 3-piperazin-1-yl-1-propylpyrrolidin-2-one?
The InChIKey is MKDQFTFSUSOBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-6-14-7-3-10(11(14)15)13-8-4-12-5-9-13/h10,12H,2-9H2,1H3.
What are the key properties of 3-piperazin-1-yl-1-propylpyrrolidin-2-one?
3-piperazin-1-yl-1-propylpyrrolidin-2-one has a molecular weight of 211.31 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-propylpyrrolidin-2-one is sourced from PubChem (CID 82470862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).