4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide

C17H23F2N3O2 — CID 110810845

IUPAC4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H23F2N3O2/c1-17(2,3)11-20-16(24)22-8-6-21(7-9-22)15(23)12-4-5-13(18)14(19)10-12/h4-5,10H,6-9,11H2,1-3H3,(H,20,24)
InChIKeyRCBWPELIUDDLHX-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.48
Rot. Bonds2

About 4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide

4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide (PubChem CID 110810845) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
PubChem CID110810845
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H23F2N3O2/c1-17(2,3)11-20-16(24)22-8-6-21(7-9-22)15(23)12-4-5-13(18)14(19)10-12/h4-5,10H,6-9,11H2,1-3H3,(H,20,24)
InChIKeyRCBWPELIUDDLHX-UHFFFAOYSA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-4-fluorobenzoyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110813653
4-(3,4-dimethylbenzoyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811542
4-(3-chlorobenzoyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811621
N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide
CID 110812839
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-methyl-3-phenylbutan-1-one
CID 110346847
N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821662
4-[[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]amino]butanoic acid
CID 122021551
4-(3,4-dihydro-2H-chromene-6-carbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110813648
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 55586596
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 47062417

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide (CID 110810845) is 4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide is CC(C)(C)CNC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide?
The InChIKey is RCBWPELIUDDLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-17(2,3)11-20-16(24)22-8-6-21(7-9-22)15(23)12-4-5-13(18)14(19)10-12/h4-5,10H,6-9,11H2,1-3H3,(H,20,24).
What are the key properties of 4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide?
4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 110810845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).