[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

C14H20N4O3 — CID 22617965

IUPAC[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1ccnc(N2CCN(C(=O)C3CCCO3)CC2)n1
InChIInChI=1S/C14H20N4O3/c1-20-12-4-5-15-14(16-12)18-8-6-17(7-9-18)13(19)11-3-2-10-21-11/h4-5,11H,2-3,6-10H2,1H3
InChIKeyNQELHAAPESACKB-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.31
Rot. Bonds3

About [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 22617965) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID22617965
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1ccnc(N2CCN(C(=O)C3CCCO3)CC2)n1
InChIInChI=1S/C14H20N4O3/c1-20-12-4-5-15-14(16-12)18-8-6-17(7-9-18)13(19)11-3-2-10-21-11/h4-5,11H,2-3,6-10H2,1H3
InChIKeyNQELHAAPESACKB-UHFFFAOYSA-N
XLogP0.31
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 22617965) is [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is COc1ccnc(N2CCN(C(=O)C3CCCO3)CC2)n1.
What is the InChIKey of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is NQELHAAPESACKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-20-12-4-5-15-14(16-12)18-8-6-17(7-9-18)13(19)11-3-2-10-21-11/h4-5,11H,2-3,6-10H2,1H3.
What are the key properties of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 292.34 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 22617965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).