3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C15H22N4O3 — CID 70720566

IUPAC3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)Cn3nccc3C)CC2)OC1=O
InChIInChI=1S/C15H22N4O3/c1-3-17-11-15(22-14(17)21)5-8-18(9-6-15)13(20)10-19-12(2)4-7-16-19/h4,7H,3,5-6,8-11H2,1-2H3
InChIKeyLUSKFKBJYIIKCB-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.02
Rot. Bonds3

About 3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70720566) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70720566
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)Cn3nccc3C)CC2)OC1=O
InChIInChI=1S/C15H22N4O3/c1-3-17-11-15(22-14(17)21)5-8-18(9-6-15)13(20)10-19-12(2)4-7-16-19/h4,7H,3,5-6,8-11H2,1-2H3
InChIKeyLUSKFKBJYIIKCB-UHFFFAOYSA-N
XLogP1.02
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776689
4-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzonitrile
CID 22975687
8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70762711
8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20622662
3-(3-methylbutyl)-8-[2-(3-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70718372
8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70760134
3-ethyl-8-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70746131
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70727405
8-[2-(azepan-1-yl)acetyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70744928
3-ethyl-8-(2-morpholin-4-ylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70758115
3-ethyl-8-[(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 136738174
8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70704956

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70720566) is 3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(C(=O)Cn3nccc3C)CC2)OC1=O.
What is the InChIKey of 3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LUSKFKBJYIIKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-17-11-15(22-14(17)21)5-8-18(9-6-15)13(20)10-19-12(2)4-7-16-19/h4,7H,3,5-6,8-11H2,1-2H3.
What are the key properties of 3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 306.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70720566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).