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

C19H29FN6O — CID 57443029

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ncc(F)cn2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H29FN6O/c20-16-13-21-19(22-14-16)26-7-5-23(6-8-26)15-18(27)25-11-9-24(10-12-25)17-3-1-2-4-17/h13-14,17H,1-12,15H2
InChIKeySKRCGKXYKUTDLN-UHFFFAOYSA-N
MW376.48 g/mol
LogP0.82
Rot. Bonds4

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

1-(4-cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 57443029) has the molecular formula C19H29FN6O and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID57443029
Molecular FormulaC19H29FN6O
Molecular Weight376.48 g/mol
Exact Mass376.24
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ncc(F)cn2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H29FN6O/c20-16-13-21-19(22-14-16)26-7-5-23(6-8-26)15-18(27)25-11-9-24(10-12-25)17-3-1-2-4-17/h13-14,17H,1-12,15H2
InChIKeySKRCGKXYKUTDLN-UHFFFAOYSA-N
XLogP0.82
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone (CID 57443029) is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone is O=C(CN1CCN(c2ncc(F)cn2)CC1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is SKRCGKXYKUTDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN6O/c20-16-13-21-19(22-14-16)26-7-5-23(6-8-26)15-18(27)25-11-9-24(10-12-25)17-3-1-2-4-17/h13-14,17H,1-12,15H2.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 376.48 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 57443029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).