3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one

C18H26N4O2 — CID 110099218

IUPAC3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCc1cc(N2CC3(CCCCC3)OC2=O)nc(C2CCNCC2)n1
InChIInChI=1S/C18H26N4O2/c1-13-11-15(21-16(20-13)14-5-9-19-10-6-14)22-12-18(24-17(22)23)7-3-2-4-8-18/h11,14,19H,2-10,12H2,1H3
InChIKeyXSQZMNDDXWSDBY-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.91
Rot. Bonds2

About 3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one

3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 110099218) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID110099218
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCc1cc(N2CC3(CCCCC3)OC2=O)nc(C2CCNCC2)n1
InChIInChI=1S/C18H26N4O2/c1-13-11-15(21-16(20-13)14-5-9-19-10-6-14)22-12-18(24-17(22)23)7-3-2-4-8-18/h11,14,19H,2-10,12H2,1H3
InChIKeyXSQZMNDDXWSDBY-UHFFFAOYSA-N
XLogP2.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one (CID 110099218) is 3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one is Cc1cc(N2CC3(CCCCC3)OC2=O)nc(C2CCNCC2)n1.
What is the InChIKey of 3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is XSQZMNDDXWSDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-11-15(21-16(20-13)14-5-9-19-10-6-14)22-12-18(24-17(22)23)7-3-2-4-8-18/h11,14,19H,2-10,12H2,1H3.
What are the key properties of 3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one?
3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 110099218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).