4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide

C20H25F2N3O3 — CID 109147743

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CCC(C(=O)Nc3c(F)cccc3F)CC2)CC1
InChIInChI=1S/C20H25F2N3O3/c1-13(26)24-9-11-25(12-10-24)20(28)15-7-5-14(6-8-15)19(27)23-18-16(21)3-2-4-17(18)22/h2-4,14-15H,5-12H2,1H3,(H,23,27)
InChIKeyBBIHWIYYAKVNOM-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.40
Rot. Bonds3

About 4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide

4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide (PubChem CID 109147743) has the molecular formula C20H25F2N3O3 and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide
PubChem CID109147743
Molecular FormulaC20H25F2N3O3
Molecular Weight393.43 g/mol
Exact Mass393.19
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CCC(C(=O)Nc3c(F)cccc3F)CC2)CC1
InChIInChI=1S/C20H25F2N3O3/c1-13(26)24-9-11-25(12-10-24)20(28)15-7-5-14(6-8-15)19(27)23-18-16(21)3-2-4-17(18)22/h2-4,14-15H,5-12H2,1H3,(H,23,27)
InChIKeyBBIHWIYYAKVNOM-UHFFFAOYSA-N
XLogP2.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150123
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734
N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147643
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide
CID 109147720
4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150408
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215
4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 109147715
N-(2,6-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134311
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide (CID 109147743) is 4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide is CC(=O)N1CCN(C(=O)C2CCC(C(=O)Nc3c(F)cccc3F)CC2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is BBIHWIYYAKVNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O3/c1-13(26)24-9-11-25(12-10-24)20(28)15-7-5-14(6-8-15)19(27)23-18-16(21)3-2-4-17(18)22/h2-4,14-15H,5-12H2,1H3,(H,23,27).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide?
4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).