1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one

C21H28N2O4 — CID 163979151

IUPAC1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one
SMILESCC1(O)C(=O)N(Cc2ccccc2)C=CC1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C21H28N2O4/c1-20(25)18(16-22-11-8-21(9-12-22)26-13-14-27-21)7-10-23(19(20)24)15-17-5-3-2-4-6-17/h2-7,10,18,25H,8-9,11-16H2,1H3
InChIKeySWVDSONMGYDIAE-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.75
Rot. Bonds4

About 1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one

1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one (PubChem CID 163979151) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one
PubChem CID163979151
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one
SMILESCC1(O)C(=O)N(Cc2ccccc2)C=CC1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C21H28N2O4/c1-20(25)18(16-22-11-8-21(9-12-22)26-13-14-27-21)7-10-23(19(20)24)15-17-5-3-2-4-6-17/h2-7,10,18,25H,8-9,11-16H2,1H3
InChIKeySWVDSONMGYDIAE-UHFFFAOYSA-N
XLogP1.75
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one 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-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one?
The IUPAC name of 1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one (CID 163979151) is 1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one.
What is the SMILES notation for 1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one?
The canonical SMILES for 1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one is CC1(O)C(=O)N(Cc2ccccc2)C=CC1CN1CCC2(CC1)OCCO2.
What is the InChIKey of 1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one?
The InChIKey is SWVDSONMGYDIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-20(25)18(16-22-11-8-21(9-12-22)26-13-14-27-21)7-10-23(19(20)24)15-17-5-3-2-4-6-17/h2-7,10,18,25H,8-9,11-16H2,1H3.
What are the key properties of 1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one?
1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one has a molecular weight of 372.47 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-methyl-4H-pyridin-2-one is sourced from PubChem (CID 163979151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).