2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C17H26FN3O2 — CID 170592209

IUPAC2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCN(C(=O)C3(F)CC3)CC2)C(=O)N1CC
InChIInChI=1S/C17H26FN3O2/c1-3-5-6-13-19-17(15(23)21(13)4-2)9-11-20(12-10-17)14(22)16(18)7-8-16/h3-12H2,1-2H3
InChIKeyNNFULJPSTRJBDR-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.30
Rot. Bonds5

About 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 170592209) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID170592209
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCN(C(=O)C3(F)CC3)CC2)C(=O)N1CC
InChIInChI=1S/C17H26FN3O2/c1-3-5-6-13-19-17(15(23)21(13)4-2)9-11-20(12-10-17)14(22)16(18)7-8-16/h3-12H2,1-2H3
InChIKeyNNFULJPSTRJBDR-UHFFFAOYSA-N
XLogP2.30
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-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

2-Butyl-8-(2,2,3,3,3-pentafluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170411849
2-Butyl-3-ethyl-8-(2-fluoro-2-methylpropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592013
2-Butyl-8-(2,2-difluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592065
2-Butyl-3-methyl-8-(3,3,3-trifluoropropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
CID 170592101
2-Butyl-3-methyl-9-(3,3,3-trifluoropropanoyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one;propane
CID 170592112
3-Ethyl-9-(1-fluorocyclopentanecarbonyl)-2-propyl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 170592133
2-Butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592255
2-Butyl-8-(3,3-difluorocyclobutanecarbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592339
9-(1-Fluorocyclopropanecarbonyl)-3-propan-2-yl-2-propyl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 170592401
2-Butyl-3-propan-2-yl-9-(3,3,3-trifluoropropanoyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 170592402
2-Butyl-8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592420
2-Butyl-8-(2,2-difluoropropanoyl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592433

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 170592209) is 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCCCC1=NC2(CCN(C(=O)C3(F)CC3)CC2)C(=O)N1CC.
What is the InChIKey of 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is NNFULJPSTRJBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-3-5-6-13-19-17(15(23)21(13)4-2)9-11-20(12-10-17)14(22)16(18)7-8-16/h3-12H2,1-2H3.
What are the key properties of 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 323.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethyl-8-(1-fluorocyclopropanecarbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 170592209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).