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

C19H19F2N3O2 — CID 113114241

IUPACN-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(c3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C19H19F2N3O2/c1-13(25)14-5-7-15(8-6-14)22-19(26)24-11-9-23(10-12-24)18-16(20)3-2-4-17(18)21/h2-8H,9-12H2,1H3,(H,22,26)
InChIKeyOPNLMYMXWSZHMC-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.52
Rot. Bonds3

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

N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide (PubChem CID 113114241) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
PubChem CID113114241
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC NameN-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(c3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C19H19F2N3O2/c1-13(25)14-5-7-15(8-6-14)22-19(26)24-11-9-23(10-12-24)18-16(20)3-2-4-17(18)21/h2-8H,9-12H2,1H3,(H,22,26)
InChIKeyOPNLMYMXWSZHMC-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

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Related Compounds

N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113112711
N-(4-acetylphenyl)-4-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 113112497
N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114224
4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114215
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108987
N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111849
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113110475
N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112277
methyl 4-[[4-(2,6-dimethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111851
4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112333

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide (CID 113114241) is N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCN(c3c(F)cccc3F)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is OPNLMYMXWSZHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-13(25)14-5-7-15(8-6-14)22-19(26)24-11-9-23(10-12-24)18-16(20)3-2-4-17(18)21/h2-8H,9-12H2,1H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
N-(4-acetylphenyl)-4-(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 N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113114241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).