5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one

C19H26ClN3O2 — CID 45232703

IUPAC5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)CCC2(C)CCC(=O)N2)CC1
InChIInChI=1S/C19H26ClN3O2/c1-14-3-4-15(20)13-16(14)22-9-11-23(12-10-22)18(25)6-8-19(2)7-5-17(24)21-19/h3-4,13H,5-12H2,1-2H3,(H,21,24)
InChIKeyMDDFCZRIUCCMRH-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.75
Rot. Bonds4

About 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one

5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one (PubChem CID 45232703) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one
PubChem CID45232703
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)CCC2(C)CCC(=O)N2)CC1
InChIInChI=1S/C19H26ClN3O2/c1-14-3-4-15(20)13-16(14)22-9-11-23(12-10-22)18(25)6-8-19(2)7-5-17(24)21-19/h3-4,13H,5-12H2,1-2H3,(H,21,24)
InChIKeyMDDFCZRIUCCMRH-UHFFFAOYSA-N
XLogP2.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-5-[3-[4-[3-(2-methyl-5-oxopyrrolidin-2-yl)propanoyl]-1,4-diazepan-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 166221552
5-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 45228364
5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione
CID 121437938
(5S)-5-methyl-5-[3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one
CID 97254808
7-amino-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]heptan-1-one
CID 119829060
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
CID 90872728
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
5-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121438005
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone
CID 9272919
3-amino-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119829106
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92672754
1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 26052963

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one (CID 45232703) is 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one is Cc1ccc(Cl)cc1N1CCN(C(=O)CCC2(C)CCC(=O)N2)CC1.
What is the InChIKey of 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one?
The InChIKey is MDDFCZRIUCCMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-14-3-4-15(20)13-16(14)22-9-11-23(12-10-22)18(25)6-8-19(2)7-5-17(24)21-19/h3-4,13H,5-12H2,1-2H3,(H,21,24).
What are the key properties of 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one?
5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one has a molecular weight of 363.89 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 45232703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).