N-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide

C13H17F2N3O2 — CID 63102210

IUPACN-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)Nc2ccc(OC(F)F)cc2)CN1
InChIInChI=1S/C13H17F2N3O2/c1-8-6-17-11(7-16-8)12(19)18-9-2-4-10(5-3-9)20-13(14)15/h2-5,8,11,13,16-17H,6-7H2,1H3,(H,18,19)
InChIKeySNFZTJCWWDVYRJ-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.18
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide

N-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide (PubChem CID 63102210) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide
PubChem CID63102210
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)Nc2ccc(OC(F)F)cc2)CN1
InChIInChI=1S/C13H17F2N3O2/c1-8-6-17-11(7-16-8)12(19)18-9-2-4-10(5-3-9)20-13(14)15/h2-5,8,11,13,16-17H,6-7H2,1H3,(H,18,19)
InChIKeySNFZTJCWWDVYRJ-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide (CID 63102210) is N-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide is CC1CNC(C(=O)Nc2ccc(OC(F)F)cc2)CN1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide?
The InChIKey is SNFZTJCWWDVYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-8-6-17-11(7-16-8)12(19)18-9-2-4-10(5-3-9)20-13(14)15/h2-5,8,11,13,16-17H,6-7H2,1H3,(H,18,19).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide?
N-[4-(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-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide is sourced from PubChem (CID 63102210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).