2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C21H27FN2O3 — CID 72865157

IUPAC2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ccc(C(=O)N2CCC3(CCCN(C4CCOCC4)C3=O)C2)cc1F
InChIInChI=1S/C21H27FN2O3/c1-15-3-4-16(13-18(15)22)19(25)23-10-8-21(14-23)7-2-9-24(20(21)26)17-5-11-27-12-6-17/h3-4,13,17H,2,5-12,14H2,1H3
InChIKeyPAAATJODFRRQJD-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.77
Rot. Bonds2

About 2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72865157) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72865157
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ccc(C(=O)N2CCC3(CCCN(C4CCOCC4)C3=O)C2)cc1F
InChIInChI=1S/C21H27FN2O3/c1-15-3-4-16(13-18(15)22)19(25)23-10-8-21(14-23)7-2-9-24(20(21)26)17-5-11-27-12-6-17/h3-4,13,17H,2,5-12,14H2,1H3
InChIKeyPAAATJODFRRQJD-UHFFFAOYSA-N
XLogP2.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-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

4-Fluorophenyl 4-morpholin-4-ylpiperidyl ketone
CID 754216
N-(6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)hexyl)-N-methylcyclopropanaminium
CID 44306371
8-Benzoyl-2-[(2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 168288159
[1-[1-(2,5-Difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 24817703
[4-[4-(Dimethylamino)piperidine-1-carbonyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 73334262
Ethyl 1-(2,6-difluorobenzoyl)-3-methylpiperidine-3-carboxylate
CID 46943904
1-(3-Fluorobenzoyl)-4-[(1-methylpiperidin-4-YL)oxy]piperidine
CID 91916428
[1-(3-Fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 662296
(3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234583
3-[4-(3-Fluoro-4-methylbenzoyl)piperazin-1-YL]-1-(2-phenylethyl)pyrrolidin-2-one
CID 91926037
8-Benzoyl-2-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 129545673
8-Benzoyl-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 168272329

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72865157) is 2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1ccc(C(=O)N2CCC3(CCCN(C4CCOCC4)C3=O)C2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PAAATJODFRRQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-15-3-4-16(13-18(15)22)19(25)23-10-8-21(14-23)7-2-9-24(20(21)26)17-5-11-27-12-6-17/h3-4,13,17H,2,5-12,14H2,1H3.
What are the key properties of 2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.46 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylbenzoyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72865157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).