1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione

C19H21FN4O2 — CID 110298115

IUPAC1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2/c20-16-7-5-15(6-8-16)17(25)3-1-4-18(26)23-11-13-24(14-12-23)19-21-9-2-10-22-19/h2,5-10H,1,3-4,11-14H2
InChIKeyHBBHPZNKXNXXLY-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.32
Rot. Bonds6

About 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione

1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione (PubChem CID 110298115) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione
PubChem CID110298115
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2/c20-16-7-5-15(6-8-16)17(25)3-1-4-18(26)23-11-13-24(14-12-23)19-21-9-2-10-22-19/h2,5-10H,1,3-4,11-14H2
InChIKeyHBBHPZNKXNXXLY-UHFFFAOYSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 26758333
3-(4-fluorophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 112789374
1-(4-fluorophenyl)-5-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pentane-1,5-dione
CID 47035344
4-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119827999
3-(4-fluorophenyl)-4-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 110355854
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9269371
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 30868633
1-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 110414748
4-(2-chlorophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 49316833
N-[(4-fluorophenyl)methyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108946407
4-(2-methylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 127115943
3-(3-fluoroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030474

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione (CID 110298115) is 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione is O=C(CCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione?
The InChIKey is HBBHPZNKXNXXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-16-7-5-15(6-8-16)17(25)3-1-4-18(26)23-11-13-24(14-12-23)19-21-9-2-10-22-19/h2,5-10H,1,3-4,11-14H2.
What are the key properties of 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione?
1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione has a molecular weight of 356.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentane-1,5-dione is sourced from PubChem (CID 110298115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).