N-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C16H24N4O2 — CID 72937737

IUPACN-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC2(CCN(c3ncc(C)cn3)CC2)O1
InChIInChI=1S/C16H24N4O2/c1-12-9-18-15(19-10-12)20-7-5-16(6-8-20)4-3-14(22-16)11-17-13(2)21/h9-10,14H,3-8,11H2,1-2H3,(H,17,21)
InChIKeyWPTIUJXNXQHXJK-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.44
Rot. Bonds3

About N-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

N-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 72937737) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
PubChem CID72937737
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC2(CCN(c3ncc(C)cn3)CC2)O1
InChIInChI=1S/C16H24N4O2/c1-12-9-18-15(19-10-12)20-7-5-16(6-8-20)4-3-14(22-16)11-17-13(2)21/h9-10,14H,3-8,11H2,1-2H3,(H,17,21)
InChIKeyWPTIUJXNXQHXJK-UHFFFAOYSA-N
XLogP1.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The IUPAC name of N-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 72937737) is N-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is CC(=O)NCC1CCC2(CCN(c3ncc(C)cn3)CC2)O1.
What is the InChIKey of N-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The InChIKey is WPTIUJXNXQHXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-9-18-15(19-10-12)20-7-5-16(6-8-20)4-3-14(22-16)11-17-13(2)21/h9-10,14H,3-8,11H2,1-2H3,(H,17,21).
What are the key properties of N-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
N-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 72937737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).