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

C25H29N3O2 — CID 141370639

IUPAC3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCc1ccc(N2CCN(C(=O)c3ccc(C4CCNC4=O)cc3)CC2)c(C2CC2)c1
InChIInChI=1S/C25H29N3O2/c1-17-2-9-23(22(16-17)19-3-4-19)27-12-14-28(15-13-27)25(30)20-7-5-18(6-8-20)21-10-11-26-24(21)29/h2,5-9,16,19,21H,3-4,10-15H2,1H3,(H,26,29)
InChIKeyFJYQOVFQFCHGJM-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.44
Rot. Bonds4

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

3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 141370639) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID141370639
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCc1ccc(N2CCN(C(=O)c3ccc(C4CCNC4=O)cc3)CC2)c(C2CC2)c1
InChIInChI=1S/C25H29N3O2/c1-17-2-9-23(22(16-17)19-3-4-19)27-12-14-28(15-13-27)25(30)20-7-5-18(6-8-20)21-10-11-26-24(21)29/h2,5-9,16,19,21H,3-4,10-15H2,1H3,(H,26,29)
InChIKeyFJYQOVFQFCHGJM-UHFFFAOYSA-N
XLogP3.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane
CID 143982822
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 141265346
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113079474
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one
CID 141370863
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]phenyl]methanone
CID 92876180
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride
CID 141370862
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one
CID 141265351
(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one
CID 71252641
(3,4-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822759
(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484693

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 141370639) is 3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is Cc1ccc(N2CCN(C(=O)c3ccc(C4CCNC4=O)cc3)CC2)c(C2CC2)c1.
What is the InChIKey of 3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is FJYQOVFQFCHGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17-2-9-23(22(16-17)19-3-4-19)27-12-14-28(15-13-27)25(30)20-7-5-18(6-8-20)21-10-11-26-24(21)29/h2,5-9,16,19,21H,3-4,10-15H2,1H3,(H,26,29).
What are the key properties of 3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 403.53 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-cyclopropyl-4-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 141370639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).