1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one

C15H20ClN3O — CID 3021275

IUPAC1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O/c16-13-3-1-4-14(11-13)18-9-7-17(8-10-18)12-19-6-2-5-15(19)20/h1,3-4,11H,2,5-10,12H2
InChIKeyCNYZDXYMZMJLBT-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.04
Rot. Bonds3

About 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one

1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 3021275) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one
PubChem CID3021275
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O/c16-13-3-1-4-14(11-13)18-9-7-17(8-10-18)12-19-6-2-5-15(19)20/h1,3-4,11H,2,5-10,12H2
InChIKeyCNYZDXYMZMJLBT-UHFFFAOYSA-N
XLogP2.04
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9208433
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 118727897
3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile
CID 12726738
1-(3-chlorophenyl)azonane
CID 145391535
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 10247408
4-(3-chlorophenyl)-N'-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111186992
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentan-1-one
CID 62053498
3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270193
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one (CID 3021275) is 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is CNYZDXYMZMJLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-13-3-1-4-14(11-13)18-9-7-17(8-10-18)12-19-6-2-5-15(19)20/h1,3-4,11H,2,5-10,12H2.
What are the key properties of 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 293.80 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 3021275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).