1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one

C18H27FN4O — CID 15729924

IUPAC1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCN1CCN(c2ncc(F)cn2)CC1)C1CCCCC1
InChIInChI=1S/C18H27FN4O/c19-16-13-20-18(21-14-16)23-11-9-22(10-12-23)8-4-7-17(24)15-5-2-1-3-6-15/h13-15H,1-12H2
InChIKeyXMKKAXBWPQXFLH-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.67
Rot. Bonds6

About 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one

1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one (PubChem CID 15729924) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one
PubChem CID15729924
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC Name1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCN1CCN(c2ncc(F)cn2)CC1)C1CCCCC1
InChIInChI=1S/C18H27FN4O/c19-16-13-20-18(21-14-16)23-11-9-22(10-12-23)8-4-7-17(24)15-5-2-1-3-6-15/h13-15H,1-12H2
InChIKeyXMKKAXBWPQXFLH-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one (CID 15729924) is 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one is O=C(CCCN1CCN(c2ncc(F)cn2)CC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one?
The InChIKey is XMKKAXBWPQXFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O/c19-16-13-20-18(21-14-16)23-11-9-22(10-12-23)8-4-7-17(24)15-5-2-1-3-6-15/h13-15H,1-12H2.
What are the key properties of 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one?
1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one has a molecular weight of 334.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 15729924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).