2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide

C14H17F2N3O2 — CID 110750479

IUPAC2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H17F2N3O2/c1-9(13(17)20)18-4-6-19(7-5-18)14(21)10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7H2,1H3,(H2,17,20)
InChIKeyDGMZXXFCUZOVGS-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.60
Rot. Bonds3

About 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide

2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide (PubChem CID 110750479) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide
PubChem CID110750479
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H17F2N3O2/c1-9(13(17)20)18-4-6-19(7-5-18)14(21)10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7H2,1H3,(H2,17,20)
InChIKeyDGMZXXFCUZOVGS-UHFFFAOYSA-N
XLogP0.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51307935
2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]propanethioamide
CID 63340378
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide
CID 134063131
2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide
CID 110750457
1-[4-(3-amino-4-fluorobenzoyl)piperazin-1-yl]-2-(azepan-1-yl)propan-1-one
CID 167801819
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethanethioamide
CID 63336063
(3-amino-4-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62773614
ethyl 2-(4-chlorophenyl)-2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetate
CID 24560558
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012457
2-[4-(3,4-dihydroxybenzoyl)piperazin-1-yl]propanethioamide
CID 107728391
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60505965
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide (CID 110750479) is 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide is CC(C(N)=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide?
The InChIKey is DGMZXXFCUZOVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-9(13(17)20)18-4-6-19(7-5-18)14(21)10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7H2,1H3,(H2,17,20).
What are the key properties of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide?
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide has a molecular weight of 297.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 110750479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).