4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide

C19H19F2N3O2 — CID 113114215

IUPAC4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)Nc3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C19H19F2N3O2/c1-13(25)14-5-7-15(8-6-14)23-9-11-24(12-10-23)19(26)22-18-16(20)3-2-4-17(18)21/h2-8H,9-12H2,1H3,(H,22,26)
InChIKeyGCVSVZNCZOPHKJ-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.52
Rot. Bonds3

About 4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide

4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide (PubChem CID 113114215) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
PubChem CID113114215
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)Nc3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C19H19F2N3O2/c1-13(25)14-5-7-15(8-6-14)23-9-11-24(12-10-23)19(26)22-18-16(20)3-2-4-17(18)21/h2-8H,9-12H2,1H3,(H,22,26)
InChIKeyGCVSVZNCZOPHKJ-UHFFFAOYSA-N
XLogP3.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 43008395
N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241
N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114224
4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2210407
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113114212
4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
CID 70949261
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 118770158
N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 91552167
4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 121187174
N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 96564267

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide (CID 113114215) is 4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)Nc3c(F)cccc3F)CC2)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is GCVSVZNCZOPHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-13(25)14-5-7-15(8-6-14)23-9-11-24(12-10-23)19(26)22-18-16(20)3-2-4-17(18)21/h2-8H,9-12H2,1H3,(H,22,26).
What are the key properties of 4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide?
4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113114215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).