1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone

C14H17F2N3O2 — CID 119756685

IUPAC1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C14H17F2N3O2/c1-17-9-12(20)18-5-7-19(8-6-18)14(21)13-10(15)3-2-4-11(13)16/h2-4,17H,5-9H2,1H3
InChIKeyFKJWNVQCHRISKY-UHFFFAOYSA-N
MW297.30 g/mol
LogP0.47
Rot. Bonds3

About 1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone

1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone (PubChem CID 119756685) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
PubChem CID119756685
Molecular FormulaC14H17F2N3O2
Molecular Weight297.30 g/mol
Exact Mass297.13
IUPAC Name1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C14H17F2N3O2/c1-17-9-12(20)18-5-7-19(8-6-18)14(21)13-10(15)3-2-4-11(13)16/h2-4,17H,5-9H2,1H3
InChIKeyFKJWNVQCHRISKY-UHFFFAOYSA-N
XLogP0.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119710242
4-amino-1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-methoxybutan-1-one
CID 120590670
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 63337395
(2,6-difluorophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7285657
1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119756701
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 43251946
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119730637
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 33014024
(2,6-difluorophenyl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 54923672
3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981277
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone (CID 119756685) is 1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone?
The InChIKey is FKJWNVQCHRISKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-17-9-12(20)18-5-7-19(8-6-18)14(21)13-10(15)3-2-4-11(13)16/h2-4,17H,5-9H2,1H3.
What are the key properties of 1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone?
1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone has a molecular weight of 297.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 119756685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).