1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone

C18H27FN6O — CID 57442972

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ncc(F)cn2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H27FN6O/c19-15-12-20-18(21-13-15)25-6-4-22(5-7-25)14-17(26)24-10-8-23(9-11-24)16-2-1-3-16/h12-13,16H,1-11,14H2
InChIKeyKKMUHMWKFCVUSK-UHFFFAOYSA-N
MW362.45 g/mol
LogP0.43
Rot. Bonds4

About 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 57442972) has the molecular formula C18H27FN6O and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID57442972
Molecular FormulaC18H27FN6O
Molecular Weight362.45 g/mol
Exact Mass362.22
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ncc(F)cn2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H27FN6O/c19-15-12-20-18(21-13-15)25-6-4-22(5-7-25)14-17(26)24-10-8-23(9-11-24)16-2-1-3-16/h12-13,16H,1-11,14H2
InChIKeyKKMUHMWKFCVUSK-UHFFFAOYSA-N
XLogP0.43
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone (CID 57442972) is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone is O=C(CN1CCN(c2ncc(F)cn2)CC1)N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is KKMUHMWKFCVUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN6O/c19-15-12-20-18(21-13-15)25-6-4-22(5-7-25)14-17(26)24-10-8-23(9-11-24)16-2-1-3-16/h12-13,16H,1-11,14H2.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 362.45 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 57442972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).