1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone

C21H24N2O3 — CID 110373502

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone
SMILESCc1ccccc1C(C(=O)N1CCC2(CC1)OCCO2)c1ccccn1
InChIInChI=1S/C21H24N2O3/c1-16-6-2-3-7-17(16)19(18-8-4-5-11-22-18)20(24)23-12-9-21(10-13-23)25-14-15-26-21/h2-8,11,19H,9-10,12-15H2,1H3
InChIKeyGERKTTQUMIYWRS-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.89
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone (PubChem CID 110373502) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone
PubChem CID110373502
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone
SMILESCc1ccccc1C(C(=O)N1CCC2(CC1)OCCO2)c1ccccn1
InChIInChI=1S/C21H24N2O3/c1-16-6-2-3-7-17(16)19(18-8-4-5-11-22-18)20(24)23-12-9-21(10-13-23)25-14-15-26-21/h2-8,11,19H,9-10,12-15H2,1H3
InChIKeyGERKTTQUMIYWRS-UHFFFAOYSA-N
XLogP2.89
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone 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-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone (CID 110373502) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone is Cc1ccccc1C(C(=O)N1CCC2(CC1)OCCO2)c1ccccn1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone?
The InChIKey is GERKTTQUMIYWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16-6-2-3-7-17(16)19(18-8-4-5-11-22-18)20(24)23-12-9-21(10-13-23)25-14-15-26-21/h2-8,11,19H,9-10,12-15H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone has a molecular weight of 352.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 110373502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).