3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C16H24N4O3 — CID 56915492

IUPAC3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCCn1cc(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)c(C)n1
InChIInChI=1S/C16H24N4O3/c1-4-7-20-9-13(12(2)17-20)14(21)19-8-5-6-16(11-19)10-18(3)15(22)23-16/h9H,4-8,10-11H2,1-3H3
InChIKeyONOGSEGYKWCAHA-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.66
Rot. Bonds3

About 3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56915492) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56915492
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCCn1cc(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)c(C)n1
InChIInChI=1S/C16H24N4O3/c1-4-7-20-9-13(12(2)17-20)14(21)19-8-5-6-16(11-19)10-18(3)15(22)23-16/h9H,4-8,10-11H2,1-3H3
InChIKeyONOGSEGYKWCAHA-UHFFFAOYSA-N
XLogP1.66
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56915492) is 3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCCn1cc(C(=O)N2CCCC3(CN(C)C(=O)O3)C2)c(C)n1.
What is the InChIKey of 3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is ONOGSEGYKWCAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-4-7-20-9-13(12(2)17-20)14(21)19-8-5-6-16(11-19)10-18(3)15(22)23-16/h9H,4-8,10-11H2,1-3H3.
What are the key properties of 3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 320.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56915492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).