1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one

C31H34F2N4O2 — CID 142349275

IUPAC1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one
SMILESCc1cc(C)c(C(=O)N2CCN(c3ccc(F)c(F)c3)C(=O)C2)cc1CN1CCN(c2ccccc2C)CC1
InChIInChI=1S/C31H34F2N4O2/c1-21-6-4-5-7-29(21)35-12-10-34(11-13-35)19-24-17-26(23(3)16-22(24)2)31(39)36-14-15-37(30(38)20-36)25-8-9-27(32)28(33)18-25/h4-9,16-18H,10-15,19-20H2,1-3H3
InChIKeyBGKIKYWEBIRJJW-UHFFFAOYSA-N
MW532.64 g/mol
LogP4.70
Rot. Bonds5

About 1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one

1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one (PubChem CID 142349275) has the molecular formula C31H34F2N4O2 and a molecular weight of 532.64 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one
PubChem CID142349275
Molecular FormulaC31H34F2N4O2
Molecular Weight532.64 g/mol
Exact Mass532.26
IUPAC Name1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one
SMILESCc1cc(C)c(C(=O)N2CCN(c3ccc(F)c(F)c3)C(=O)C2)cc1CN1CCN(c2ccccc2C)CC1
InChIInChI=1S/C31H34F2N4O2/c1-21-6-4-5-7-29(21)35-12-10-34(11-13-35)19-24-17-26(23(3)16-22(24)2)31(39)36-14-15-37(30(38)20-36)25-8-9-27(32)28(33)18-25/h4-9,16-18H,10-15,19-20H2,1-3H3
InChIKeyBGKIKYWEBIRJJW-UHFFFAOYSA-N
XLogP4.70
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.64
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one with MolForge

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Related Compounds

[5-[[4-[2-(1-aminoethenyl)phenyl]piperazin-1-yl]methyl]-2,4-dimethylphenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 134514041
[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenyl]-[1-(2-methylphenyl)piperidin-4-yl]methanone
CID 159353323
1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136526977
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone
CID 43047826
2-[4-[5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]-N-methylbenzamide
CID 134499278
[4-(2-ethynylphenyl)piperazin-1-yl]-[5-[[4-(3-ethynyl-2-pyridinyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methanone
CID 142349037
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
2-[4-[[5-[4-[2-(imino-methyl-methylidene-λ6-sulfanyl)phenyl]piperazine-1-carbonyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]benzonitrile
CID 142349122
[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 110399164
2-[4-[[2,4-dimethyl-5-[4-(1-methylindol-7-yl)piperazine-1-carbonyl]phenyl]methyl]piperazin-1-yl]benzonitrile
CID 134500409
5-[4-[5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 134498871
4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one
CID 70755852

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one?
The IUPAC name of 1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one (CID 142349275) is 1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one is Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)c(F)c3)C(=O)C2)cc1CN1CCN(c2ccccc2C)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one?
The InChIKey is BGKIKYWEBIRJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F2N4O2/c1-21-6-4-5-7-29(21)35-12-10-34(11-13-35)19-24-17-26(23(3)16-22(24)2)31(39)36-14-15-37(30(38)20-36)25-8-9-27(32)28(33)18-25/h4-9,16-18H,10-15,19-20H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one?
1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one has a molecular weight of 532.64 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-[2,4-dimethyl-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoyl]piperazin-2-one is sourced from PubChem (CID 142349275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).