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

C19H18F2N2O2 — CID 43008395

IUPAC1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C19H18F2N2O2/c1-13(24)14-5-7-15(8-6-14)22-9-11-23(12-10-22)19(25)18-16(20)3-2-4-17(18)21/h2-8H,9-12H2,1H3
InChIKeyAXTYZLUWCHQJHJ-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.13
Rot. Bonds3

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

1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 43008395) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone
PubChem CID43008395
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C19H18F2N2O2/c1-13(24)14-5-7-15(8-6-14)22-9-11-23(12-10-22)19(25)18-16(20)3-2-4-17(18)21/h2-8H,9-12H2,1H3
InChIKeyAXTYZLUWCHQJHJ-UHFFFAOYSA-N
XLogP3.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 896999
4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114215
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
1-[4-[4-(3-iodobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 26240000
1-[4-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 32754911
(2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone
CID 113075915
(2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078755
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 8867044
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 33014024
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
1-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 171335167

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone (CID 43008395) is 1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is AXTYZLUWCHQJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-13(24)14-5-7-15(8-6-14)22-9-11-23(12-10-22)19(25)18-16(20)3-2-4-17(18)21/h2-8H,9-12H2,1H3.
What are the key properties of 1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 344.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 43008395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).