N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide

C13H17F2N3O2 — CID 63102211

IUPACN-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)Nc2ccccc2OC(F)F)CN1
InChIInChI=1S/C13H17F2N3O2/c1-8-6-17-10(7-16-8)12(19)18-9-4-2-3-5-11(9)20-13(14)15/h2-5,8,10,13,16-17H,6-7H2,1H3,(H,18,19)
InChIKeyVUUYHIVIAYMKDB-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.18
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide

N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide (PubChem CID 63102211) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide
PubChem CID63102211
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC NameN-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)Nc2ccccc2OC(F)F)CN1
InChIInChI=1S/C13H17F2N3O2/c1-8-6-17-10(7-16-8)12(19)18-9-4-2-3-5-11(9)20-13(14)15/h2-5,8,10,13,16-17H,6-7H2,1H3,(H,18,19)
InChIKeyVUUYHIVIAYMKDB-UHFFFAOYSA-N
XLogP1.18
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide
CID 63102747
2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 116674736
(2R)-N-(2-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 103795046
4-amino-N-[2-(difluoromethoxy)phenyl]cyclopent-2-ene-1-carboxamide
CID 79210360
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 3529146
(1S,2S,3S,4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51008155
N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51320655
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide
CID 63102745
4-methyl-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55229769
N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide
CID 82906619
N-(2-ethoxyphenyl)-6-methylpiperidine-3-carboxamide
CID 24711526

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide (CID 63102211) is N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide is CC1CNC(C(=O)Nc2ccccc2OC(F)F)CN1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide?
The InChIKey is VUUYHIVIAYMKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-8-6-17-10(7-16-8)12(19)18-9-4-2-3-5-11(9)20-13(14)15/h2-5,8,10,13,16-17H,6-7H2,1H3,(H,18,19).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide?
N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide has a molecular weight of 285.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide is sourced from PubChem (CID 63102211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).