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

C15H21F2N3O — CID 113104407

IUPACN-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C15H21F2N3O/c1-3-11(2)18-15(21)20-9-7-19(8-10-20)14-12(16)5-4-6-13(14)17/h4-6,11H,3,7-10H2,1-2H3,(H,18,21)
InChIKeyGVSKPBLLPZTAQT-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.59
Rot. Bonds3

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

N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide (PubChem CID 113104407) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
PubChem CID113104407
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC NameN-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C15H21F2N3O/c1-3-11(2)18-15(21)20-9-7-19(8-10-20)14-12(16)5-4-6-13(14)17/h4-6,11H,3,7-10H2,1-2H3,(H,18,21)
InChIKeyGVSKPBLLPZTAQT-UHFFFAOYSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
N-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113103949
1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one
CID 113081212
N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113110475
4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112333
N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60541693
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364
N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113081283
4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 113103755
N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113104404
methyl 3-[4-(butan-2-ylcarbamoyl)piperazin-1-yl]benzoate
CID 113104367
N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 51386952

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide (CID 113104407) is N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide is CCC(C)NC(=O)N1CCN(c2c(F)cccc2F)CC1.
What is the InChIKey of N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is GVSKPBLLPZTAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-3-11(2)18-15(21)20-9-7-19(8-10-20)14-12(16)5-4-6-13(14)17/h4-6,11H,3,7-10H2,1-2H3,(H,18,21).
What are the key properties of N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).