2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C15H22N4O2 — CID 110855038

IUPAC2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CC1CCOCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H22N4O2/c20-14(12-13-2-10-21-11-3-13)18-6-8-19(9-7-18)15-16-4-1-5-17-15/h1,4-5,13H,2-3,6-12H2
InChIKeyGNSHJWZQNCBGRO-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.94
Rot. Bonds3

About 2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 110855038) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID110855038
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CC1CCOCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H22N4O2/c20-14(12-13-2-10-21-11-3-13)18-6-8-19(9-7-18)15-16-4-1-5-17-15/h1,4-5,13H,2-3,6-12H2
InChIKeyGNSHJWZQNCBGRO-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 110855038) is 2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(CC1CCOCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is GNSHJWZQNCBGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14(12-13-2-10-21-11-3-13)18-6-8-19(9-7-18)15-16-4-1-5-17-15/h1,4-5,13H,2-3,6-12H2.
What are the key properties of 2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 290.37 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110855038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).