3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one

C18H24N4O2 — CID 176681964

IUPAC3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccn2c(=O)c(CN3CCNCC34CCCC4)cnc2c1
InChIInChI=1S/C18H24N4O2/c1-24-15-4-8-22-16(10-15)20-11-14(17(22)23)12-21-9-7-19-13-18(21)5-2-3-6-18/h4,8,10-11,19H,2-3,5-7,9,12-13H2,1H3
InChIKeyUZCVPAYOUHFKPR-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.42
Rot. Bonds3

About 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one

3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681964) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID176681964
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccn2c(=O)c(CN3CCNCC34CCCC4)cnc2c1
InChIInChI=1S/C18H24N4O2/c1-24-15-4-8-22-16(10-15)20-11-14(17(22)23)12-21-9-7-19-13-18(21)5-2-3-6-18/h4,8,10-11,19H,2-3,5-7,9,12-13H2,1H3
InChIKeyUZCVPAYOUHFKPR-UHFFFAOYSA-N
XLogP1.42
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one (CID 176681964) is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one is COc1ccn2c(=O)c(CN3CCNCC34CCCC4)cnc2c1.
What is the InChIKey of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UZCVPAYOUHFKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-15-4-8-22-16(10-15)20-11-14(17(22)23)12-21-9-7-19-13-18(21)5-2-3-6-18/h4,8,10-11,19H,2-3,5-7,9,12-13H2,1H3.
What are the key properties of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one?
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 328.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).