N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide

C12H15F2N3O — CID 21019691

IUPACN-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C12H15F2N3O/c1-16-4-6-17(7-5-16)12(18)15-9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3,(H,15,18)
InChIKeyJTFLASVPUIMCKH-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.74
Rot. Bonds1

About N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide

N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide (PubChem CID 21019691) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
PubChem CID21019691
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C12H15F2N3O/c1-16-4-6-17(7-5-16)12(18)15-9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3,(H,15,18)
InChIKeyJTFLASVPUIMCKH-UHFFFAOYSA-N
XLogP1.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
N-(4-ethyl-3-fluorophenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 75518465
N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111547
4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113113338
N-(3-fluoro-4-methylphenyl)-4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56922523
methyl 4-[4-[(3,4-difluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113114382
N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104531
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-4-methyl-1,4-diazepane-1-carboxamide
CID 75369272
N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108051
N-(3,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114108
N-(3,4-difluorophenyl)-4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 122332977

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide (CID 21019691) is N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is JTFLASVPUIMCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c1-16-4-6-17(7-5-16)12(18)15-9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3,(H,15,18).
What are the key properties of N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide?
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 21019691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).