2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C17H25N5O2 — CID 139598472

IUPAC2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCc1cc(N2CCC3(CNC(=O)CO3)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H25N5O2/c1-13-9-14(20-16(19-13)21-6-3-2-4-7-21)22-8-5-17(12-22)11-18-15(23)10-24-17/h9H,2-8,10-12H2,1H3,(H,18,23)
InChIKeyCEKVJWSDTYUNRS-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.87
Rot. Bonds2

About 2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 139598472) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID139598472
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCc1cc(N2CCC3(CNC(=O)CO3)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H25N5O2/c1-13-9-14(20-16(19-13)21-6-3-2-4-7-21)22-8-5-17(12-22)11-18-15(23)10-24-17/h9H,2-8,10-12H2,1H3,(H,18,23)
InChIKeyCEKVJWSDTYUNRS-UHFFFAOYSA-N
XLogP0.87
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 139598472) is 2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is Cc1cc(N2CCC3(CNC(=O)CO3)C2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is CEKVJWSDTYUNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13-9-14(20-16(19-13)21-6-3-2-4-7-21)22-8-5-17(12-22)11-18-15(23)10-24-17/h9H,2-8,10-12H2,1H3,(H,18,23).
What are the key properties of 2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 331.42 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 139598472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).