3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C17H25N5O2 — CID 56895829

IUPAC3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(c3cc(N4CCCCC4)ncn3)C2)OC1=O
InChIInChI=1S/C17H25N5O2/c1-20-11-17(24-16(20)23)6-5-9-22(12-17)15-10-14(18-13-19-15)21-7-3-2-4-8-21/h10,13H,2-9,11-12H2,1H3
InChIKeyPDWCAINUKRIRSU-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.89
Rot. Bonds2

About 3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56895829) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56895829
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(c3cc(N4CCCCC4)ncn3)C2)OC1=O
InChIInChI=1S/C17H25N5O2/c1-20-11-17(24-16(20)23)6-5-9-22(12-17)15-10-14(18-13-19-15)21-7-3-2-4-8-21/h10,13H,2-9,11-12H2,1H3
InChIKeyPDWCAINUKRIRSU-UHFFFAOYSA-N
XLogP1.89
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56895829) is 3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1CC2(CCCN(c3cc(N4CCCCC4)ncn3)C2)OC1=O.
What is the InChIKey of 3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is PDWCAINUKRIRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-20-11-17(24-16(20)23)6-5-9-22(12-17)15-10-14(18-13-19-15)21-7-3-2-4-8-21/h10,13H,2-9,11-12H2,1H3.
What are the key properties of 3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(6-piperidin-1-ylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56895829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).