1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one

C17H18F2N4O — CID 10042372

IUPAC1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H18F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12H,5-10H2
InChIKeyBGPJHKCGFSWCLH-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.15
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one

1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 10042372) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one
PubChem CID10042372
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC Name1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H18F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12H,5-10H2
InChIKeyBGPJHKCGFSWCLH-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Azaperone
CID 15443
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](3-fluorophenyl)methanone
CID 11975201
2-[4-(2-Methylbenzoyl)-1-piperazinyl]pyrimidine
CID 896524
Phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2368501
2-[4-(4-Methylbenzoyl)piperazin-1-yl]pyrimidine
CID 903798
(3-Fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3234351
2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 2431976
(2,4-Dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2554447
(E)-3-(3-fluorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 2707498
(4-Fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2812700
2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 23609657
2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 23609658

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one (CID 10042372) is 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one is O=C(CCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is BGPJHKCGFSWCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c18-14-3-1-13(2-4-14)16(24)5-6-22-7-9-23(10-8-22)17-20-11-15(19)12-21-17/h1-4,11-12H,5-10H2.
What are the key properties of 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one?
1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 332.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 10042372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).