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

C11H13F2N3O — CID 91552167

IUPACN-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)N1CCNCC1
InChIInChI=1S/C11H13F2N3O/c12-8-2-1-3-9(13)10(8)15-11(17)16-6-4-14-5-7-16/h1-3,14H,4-7H2,(H,15,17)
InChIKeyPJUTZNUBEPUQAZ-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.40
Rot. Bonds1

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

N-(2,6-difluorophenyl)piperazine-1-carboxamide (PubChem CID 91552167) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)piperazine-1-carboxamide
PubChem CID91552167
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC NameN-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)N1CCNCC1
InChIInChI=1S/C11H13F2N3O/c12-8-2-1-3-9(13)10(8)15-11(17)16-6-4-14-5-7-16/h1-3,14H,4-7H2,(H,15,17)
InChIKeyPJUTZNUBEPUQAZ-UHFFFAOYSA-N
XLogP1.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropylidene-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 121187174
N-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 82090590
N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide
CID 81310935
N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
CID 134177696
N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 108896475
2-(azocane-1-carbonylamino)-3-fluorobenzoic acid
CID 81498589
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 82086576
4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114215
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride
CID 161429072
N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
CID 171854873

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)piperazine-1-carboxamide (CID 91552167) is N-(2,6-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)piperazine-1-carboxamide is O=C(Nc1c(F)cccc1F)N1CCNCC1.
What is the InChIKey of N-(2,6-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is PJUTZNUBEPUQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c12-8-2-1-3-9(13)10(8)15-11(17)16-6-4-14-5-7-16/h1-3,14H,4-7H2,(H,15,17).
What are the key properties of N-(2,6-difluorophenyl)piperazine-1-carboxamide?
N-(2,6-difluorophenyl)piperazine-1-carboxamide has a molecular weight of 241.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 91552167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).