5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C16H21N3O2 — CID 110689681

IUPAC5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(N2CCN(C(=O)C3CCC(=O)N3)CC2)c1
InChIInChI=1S/C16H21N3O2/c1-12-3-2-4-13(11-12)18-7-9-19(10-8-18)16(21)14-5-6-15(20)17-14/h2-4,11,14H,5-10H2,1H3,(H,17,20)
InChIKeyKJPVNENQGSFZHP-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.92
Rot. Bonds2

About 5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110689681) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID110689681
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(N2CCN(C(=O)C3CCC(=O)N3)CC2)c1
InChIInChI=1S/C16H21N3O2/c1-12-3-2-4-13(11-12)18-7-9-19(10-8-18)16(21)14-5-6-15(20)17-14/h2-4,11,14H,5-10H2,1H3,(H,17,20)
InChIKeyKJPVNENQGSFZHP-UHFFFAOYSA-N
XLogP0.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 18073007
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053707
5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 4234003
[4-(3-methylphenyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 84578391
[4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 110680601
(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 154853506
1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46587894
1-(3-fluorophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113190156
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
[4-(3-methylphenyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133316

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 110689681) is 5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1cccc(N2CCN(C(=O)C3CCC(=O)N3)CC2)c1.
What is the InChIKey of 5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is KJPVNENQGSFZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-3-2-4-13(11-12)18-7-9-19(10-8-18)16(21)14-5-6-15(20)17-14/h2-4,11,14H,5-10H2,1H3,(H,17,20).
What are the key properties of 5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 287.36 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110689681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).