1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide

C15H19F2N3O2 — CID 24733104

IUPAC1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide
SMILESCCN1CCN(C(=O)c2ccc(F)c(F)c2)C(C(=O)NC)C1
InChIInChI=1S/C15H19F2N3O2/c1-3-19-6-7-20(13(9-19)14(21)18-2)15(22)10-4-5-11(16)12(17)8-10/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,18,21)
InChIKeyGSCWBDZPXPZTEF-UHFFFAOYSA-N
MW311.33 g/mol
LogP0.86
Rot. Bonds3

About 1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide

1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide (PubChem CID 24733104) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide
PubChem CID24733104
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide
SMILESCCN1CCN(C(=O)c2ccc(F)c(F)c2)C(C(=O)NC)C1
InChIInChI=1S/C15H19F2N3O2/c1-3-19-6-7-20(13(9-19)14(21)18-2)15(22)10-4-5-11(16)12(17)8-10/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,18,21)
InChIKeyGSCWBDZPXPZTEF-UHFFFAOYSA-N
XLogP0.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 62681861
4-[2-(4-fluorophenoxy)ethyl]-1-(3-methoxybenzoyl)-N-methylpiperazine-2-carboxamide
CID 24733035
4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 107953181
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
CID 23936872
N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175657649
(2R)-1-(3,4-difluorobenzoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 95196086
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
4-benzyl-N-methyl-1-[3-(pyrimidin-2-ylamino)benzoyl]piperazine-2-carboxamide
CID 110076313
(3-chloro-4-fluorophenyl)-[(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]methanone
CID 100627126
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
(3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331652
(2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide
CID 124977606

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide (CID 24733104) is 1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide is CCN1CCN(C(=O)c2ccc(F)c(F)c2)C(C(=O)NC)C1.
What is the InChIKey of 1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide?
The InChIKey is GSCWBDZPXPZTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-3-19-6-7-20(13(9-19)14(21)18-2)15(22)10-4-5-11(16)12(17)8-10/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,18,21).
What are the key properties of 1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide?
1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide has a molecular weight of 311.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 24733104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).