2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C16H25FN2O2 — CID 131686040

IUPAC2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)C1(F)CCC1)CC2
InChIInChI=1S/C16H25FN2O2/c1-2-18-12-15(7-4-13(18)20)8-10-19(11-9-15)14(21)16(17)5-3-6-16/h2-12H2,1H3
InChIKeyUKDURJQYGZZRPA-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.13
Rot. Bonds2

About 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 131686040) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID131686040
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)C1(F)CCC1)CC2
InChIInChI=1S/C16H25FN2O2/c1-2-18-12-15(7-4-13(18)20)8-10-19(11-9-15)14(21)16(17)5-3-6-16/h2-12H2,1H3
InChIKeyUKDURJQYGZZRPA-UHFFFAOYSA-N
XLogP2.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-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

9-(2,2-dimethyl-1-phenylcyclopropanecarbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72912025
2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72848278
9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72886047
9-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148827
9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 131687106
N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70764179
2-ethyl-9-(4-methylpyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897107
2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70740405
2-ethyl-9-[(2R)-2-(methylamino)-2-phenylacetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97126301
N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70755232
2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926553
2-[9-(1-fluorocyclobutanecarbonyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-4-yl]acetonitrile
CID 131684610

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 131686040) is 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(C(=O)C1(F)CCC1)CC2.
What is the InChIKey of 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UKDURJQYGZZRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-2-18-12-15(7-4-13(18)20)8-10-19(11-9-15)14(21)16(17)5-3-6-16/h2-12H2,1H3.
What are the key properties of 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 296.39 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131686040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).