4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide

C22H26FN3O2 — CID 18158983

IUPAC4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c1-16-15-19(26-13-11-25(2)12-14-26)7-8-20(16)24-22(28)10-9-21(27)17-3-5-18(23)6-4-17/h3-8,15H,9-14H2,1-2H3,(H,24,28)
InChIKeyKFYCROPABLINQS-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.49
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide

4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide (PubChem CID 18158983) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide
PubChem CID18158983
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c1-16-15-19(26-13-11-25(2)12-14-26)7-8-20(16)24-22(28)10-9-21(27)17-3-5-18(23)6-4-17/h3-8,15H,9-14H2,1-2H3,(H,24,28)
InChIKeyKFYCROPABLINQS-UHFFFAOYSA-N
XLogP3.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenoxy)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18082370
4-(5-chlorothiophen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide
CID 4827584
4-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-oxobutanamide
CID 36567036
2-(2-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 8025203
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-fluorophenyl)propanamide
CID 36565619
2-(4-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 26070733
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
2-(4-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17484787
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109035128
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide (CID 18158983) is 4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide?
The InChIKey is KFYCROPABLINQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16-15-19(26-13-11-25(2)12-14-26)7-8-20(16)24-22(28)10-9-21(27)17-3-5-18(23)6-4-17/h3-8,15H,9-14H2,1-2H3,(H,24,28).
What are the key properties of 4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide?
4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide has a molecular weight of 383.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 18158983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).