N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide

C18H23F2N3O2 — CID 47784765

IUPACN-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C18H23F2N3O2/c19-14-7-4-8-15(20)16(14)17(24)22-9-11-23(12-10-22)18(25)21-13-5-2-1-3-6-13/h4,7-8,13H,1-3,5-6,9-12H2,(H,21,25)
InChIKeyDOLZLADAWWHNGH-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.76
Rot. Bonds2

About N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide

N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide (PubChem CID 47784765) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide
PubChem CID47784765
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC NameN-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C18H23F2N3O2/c19-14-7-4-8-15(20)16(14)17(24)22-9-11-23(12-10-22)18(25)21-13-5-2-1-3-6-13/h4,7-8,13H,1-3,5-6,9-12H2,(H,21,25)
InChIKeyDOLZLADAWWHNGH-UHFFFAOYSA-N
XLogP2.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749
1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 113003080
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381
N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
CID 110812430
N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113081283
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide
CID 55568581
N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 138378584
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide
CID 47924929
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol
CID 169151615

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide (CID 47784765) is N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(C(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide?
The InChIKey is DOLZLADAWWHNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c19-14-7-4-8-15(20)16(14)17(24)22-9-11-23(12-10-22)18(25)21-13-5-2-1-3-6-13/h4,7-8,13H,1-3,5-6,9-12H2,(H,21,25).
What are the key properties of N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 47784765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).