5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one

C23H29N3O — CID 23048808

IUPAC5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one
SMILESCc1cccc(N2CCN(CCc3ccc(C4CCC(=O)N4)cc3)CC2)c1
InChIInChI=1S/C23H29N3O/c1-18-3-2-4-21(17-18)26-15-13-25(14-16-26)12-11-19-5-7-20(8-6-19)22-9-10-23(27)24-22/h2-8,17,22H,9-16H2,1H3,(H,24,27)
InChIKeyMNAMQOOWGUKBJO-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.31
Rot. Bonds5

About 5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one

5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 23048808) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one
PubChem CID23048808
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one
SMILESCc1cccc(N2CCN(CCc3ccc(C4CCC(=O)N4)cc3)CC2)c1
InChIInChI=1S/C23H29N3O/c1-18-3-2-4-21(17-18)26-15-13-25(14-16-26)12-11-19-5-7-20(8-6-19)22-9-10-23(27)24-22/h2-8,17,22H,9-16H2,1H3,(H,24,27)
InChIKeyMNAMQOOWGUKBJO-UHFFFAOYSA-N
XLogP3.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one
CID 15104502
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]aniline
CID 22751185
5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one
CID 139711919
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110689681
5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one
CID 23048806
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one
CID 139880387
1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663604
N',N'-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 62573769
(5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 148615412
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one (CID 23048808) is 5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one is Cc1cccc(N2CCN(CCc3ccc(C4CCC(=O)N4)cc3)CC2)c1.
What is the InChIKey of 5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is MNAMQOOWGUKBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-18-3-2-4-21(17-18)26-15-13-25(14-16-26)12-11-19-5-7-20(8-6-19)22-9-10-23(27)24-22/h2-8,17,22H,9-16H2,1H3,(H,24,27).
What are the key properties of 5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one?
5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 363.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 23048808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).