(2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide

C12H15F2N3O — CID 82755862

IUPAC(2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide
SMILESC[C@@H]1CNCCN1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H15F2N3O/c1-8-7-15-4-5-17(8)12(18)16-11-3-2-9(13)6-10(11)14/h2-3,6,8,15H,4-5,7H2,1H3,(H,16,18)/t8-/m1/s1
InChIKeyYMYZKWKPOFEATK-MRVPVSSYSA-N
MW255.27 g/mol
LogP1.79
Rot. Bonds1

About (2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide

(2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide (PubChem CID 82755862) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is (2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide
PubChem CID82755862
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name(2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide
SMILESC[C@@H]1CNCCN1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H15F2N3O/c1-8-7-15-4-5-17(8)12(18)16-11-3-2-9(13)6-10(11)14/h2-3,6,8,15H,4-5,7H2,1H3,(H,16,18)/t8-/m1/s1
InChIKeyYMYZKWKPOFEATK-MRVPVSSYSA-N
XLogP1.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2-[(2R)-2-methylpiperazin-1-yl]acetamide
CID 82713919
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
(2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride
CID 171854913
N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 55104624
(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 63047401
2-(2,4-difluorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119471074
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119471204
(2R)-N-(4-cyanophenyl)-2-methylpiperazine-1-carboxamide
CID 82755656
(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 82756445
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide (CID 82755862) is (2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide is C[C@@H]1CNCCN1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of (2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is YMYZKWKPOFEATK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c1-8-7-15-4-5-17(8)12(18)16-11-3-2-9(13)6-10(11)14/h2-3,6,8,15H,4-5,7H2,1H3,(H,16,18)/t8-/m1/s1.
What are the key properties of (2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide?
(2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 82755862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).