1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

C21H22ClN3O2 — CID 120802376

IUPAC1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(C(=O)N2CCNCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C21H22ClN3O2/c22-17-6-1-4-15(12-17)19-14-23-9-11-25(19)21(27)16-5-2-7-18(13-16)24-10-3-8-20(24)26/h1-2,4-7,12-13,19,23H,3,8-11,14H2
InChIKeyCYELIPBUELSGBJ-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.25
Rot. Bonds3

About 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 120802376) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID120802376
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(C(=O)N2CCNCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C21H22ClN3O2/c22-17-6-1-4-15(12-17)19-14-23-9-11-25(19)21(27)16-5-2-7-18(13-16)24-10-3-8-20(24)26/h1-2,4-7,12-13,19,23H,3,8-11,14H2
InChIKeyCYELIPBUELSGBJ-UHFFFAOYSA-N
XLogP3.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 120730632
[2-(3-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone;hydrochloride
CID 120803568
1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
CID 120802746
6-[2-(3-chlorophenyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 120803347
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
[2-(3-chlorophenyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 120802842
3-(4-fluorophenyl)-4-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
CID 110425973
2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737068
1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea
CID 120803277
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
[2-(3-chlorophenyl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 120802367

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 120802376) is 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(C(=O)N2CCNCC2c2cccc(Cl)c2)c1.
What is the InChIKey of 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is CYELIPBUELSGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-17-6-1-4-15(12-17)19-14-23-9-11-25(19)21(27)16-5-2-7-18(13-16)24-10-3-8-20(24)26/h1-2,4-7,12-13,19,23H,3,8-11,14H2.
What are the key properties of 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 383.88 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 120802376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).