8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H28N4O3 — CID 70776689

IUPAC8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)CCCn3nc(C)cc3C)CC2)OC1=O
InChIInChI=1S/C18H28N4O3/c1-4-20-13-18(25-17(20)24)7-10-21(11-8-18)16(23)6-5-9-22-15(3)12-14(2)19-22/h12H,4-11,13H2,1-3H3
InChIKeyWLGKTUOBTDXFGD-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.11
Rot. Bonds5

About 8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70776689) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70776689
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)CCCn3nc(C)cc3C)CC2)OC1=O
InChIInChI=1S/C18H28N4O3/c1-4-20-13-18(25-17(20)24)7-10-21(11-8-18)16(23)6-5-9-22-15(3)12-14(2)19-22/h12H,4-11,13H2,1-3H3
InChIKeyWLGKTUOBTDXFGD-UHFFFAOYSA-N
XLogP2.11
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70720566
4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 124995877
4-(3,5-dimethylpyrazol-1-yl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]butan-1-one
CID 110156857
4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide
CID 110268310
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
CID 72891932
3-(2-ethylbutyl)-8-[4-(1,2,4-triazol-1-yl)butanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740333
4-(3,5-dimethylpyrazol-1-yl)-1-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]butan-1-one
CID 70732290
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 72870637
1,4-bis(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102166636
8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70704956
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 54878873
1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16675929

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70776689) is 8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(C(=O)CCCn3nc(C)cc3C)CC2)OC1=O.
What is the InChIKey of 8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WLGKTUOBTDXFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-4-20-13-18(25-17(20)24)7-10-21(11-8-18)16(23)6-5-9-22-15(3)12-14(2)19-22/h12H,4-11,13H2,1-3H3.
What are the key properties of 8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 348.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70776689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).