1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone

C20H27FN2O3 — CID 91910534

IUPAC1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(C(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C20H27FN2O3/c1-15(24)23-12-17(13-26-2)20(14-23)6-8-22(9-7-20)19(25)11-16-4-3-5-18(21)10-16/h3-5,10,17H,6-9,11-14H2,1-2H3
InChIKeyYFOQGEWUGJLANH-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone

1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 91910534) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone
PubChem CID91910534
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(C(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C20H27FN2O3/c1-15(24)23-12-17(13-26-2)20(14-23)6-8-22(9-7-20)19(25)11-16-4-3-5-18(21)10-16/h3-5,10,17H,6-9,11-14H2,1-2H3
InChIKeyYFOQGEWUGJLANH-UHFFFAOYSA-N
XLogP2.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone (CID 91910534) is 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone is COCC1CN(C(C)=O)CC12CCN(C(=O)Cc1cccc(F)c1)CC2.
What is the InChIKey of 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone?
The InChIKey is YFOQGEWUGJLANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-15(24)23-12-17(13-26-2)20(14-23)6-8-22(9-7-20)19(25)11-16-4-3-5-18(21)10-16/h3-5,10,17H,6-9,11-14H2,1-2H3.
What are the key properties of 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone?
1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 362.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 91910534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).