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

C20H20F2N2O2 — CID 48866857

IUPAC1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H20F2N2O2/c21-16-7-8-17(18(22)14-16)20(26)24-12-10-23(11-13-24)19(25)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,6,9-13H2
InChIKeyVJKRSMJXMPEUGO-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.88
Rot. Bonds4

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

1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 48866857) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID48866857
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H20F2N2O2/c21-16-7-8-17(18(22)14-16)20(26)24-12-10-23(11-13-24)19(25)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,6,9-13H2
InChIKeyVJKRSMJXMPEUGO-UHFFFAOYSA-N
XLogP2.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364942
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110804269
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 32761996
1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 110798353
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 55716352
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 32523207
1-(4-benzoyl-1,4-diazepan-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 110798188
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
1-[4-[1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 42666460
3-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798237
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108560102

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 48866857) is 1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is VJKRSMJXMPEUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-16-7-8-17(18(22)14-16)20(26)24-12-10-23(11-13-24)19(25)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,6,9-13H2.
What are the key properties of 1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 358.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 48866857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).