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

C24H28ClN3O2 — CID 91926029

IUPAC3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESO=C(Cc1cccc(Cl)c1)N1CCN(C2CCN(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C24H28ClN3O2/c25-21-8-4-7-20(17-21)18-23(29)27-15-13-26(14-16-27)22-10-12-28(24(22)30)11-9-19-5-2-1-3-6-19/h1-8,17,22H,9-16,18H2
InChIKeyZXLXAUXCPWWIDH-UHFFFAOYSA-N
MW425.96 g/mol
LogP2.87
Rot. Bonds6

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

3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 91926029) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID91926029
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESO=C(Cc1cccc(Cl)c1)N1CCN(C2CCN(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C24H28ClN3O2/c25-21-8-4-7-20(17-21)18-23(29)27-15-13-26(14-16-27)22-10-12-28(24(22)30)11-9-19-5-2-1-3-6-19/h1-8,17,22H,9-16,18H2
InChIKeyZXLXAUXCPWWIDH-UHFFFAOYSA-N
XLogP2.87
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-(3-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 87054816
1-(2-methoxyethyl)-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidin-2-one
CID 91925735
4-benzyl-1-[2-(3-chlorophenyl)acetyl]-1,4-diazepan-5-one
CID 42366762
2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759115
2-(3-chlorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759114
2-(3-chlorophenyl)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71988771
4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
CID 110720798
1-(2-methoxyethyl)-3-[4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
CID 87054822
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]acetonitrile
CID 63336887
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(3-chlorophenyl)ethanone
CID 110798191
1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 110723652
1-(2-methoxyethyl)-3-[4-(4-phenylbutanoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
CID 71687199

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one (CID 91926029) is 3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one is O=C(Cc1cccc(Cl)c1)N1CCN(C2CCN(CCc3ccccc3)C2=O)CC1.
What is the InChIKey of 3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is ZXLXAUXCPWWIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c25-21-8-4-7-20(17-21)18-23(29)27-15-13-26(14-16-27)22-10-12-28(24(22)30)11-9-19-5-2-1-3-6-19/h1-8,17,22H,9-16,18H2.
What are the key properties of 3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one?
3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 425.96 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 91926029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).