1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one

C21H24N2O4 — CID 71874880

IUPAC1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one
SMILESCC1COC2(CCN(C(=O)c3cccn(Cc4ccccc4)c3=O)CC2)O1
InChIInChI=1S/C21H24N2O4/c1-16-15-26-21(27-16)9-12-22(13-10-21)19(24)18-8-5-11-23(20(18)25)14-17-6-3-2-4-7-17/h2-8,11,16H,9-10,12-15H2,1H3
InChIKeyXXNWWTXBLYEZCQ-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.26
Rot. Bonds3

About 1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one

1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one (PubChem CID 71874880) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one
PubChem CID71874880
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one
SMILESCC1COC2(CCN(C(=O)c3cccn(Cc4ccccc4)c3=O)CC2)O1
InChIInChI=1S/C21H24N2O4/c1-16-15-26-21(27-16)9-12-22(13-10-21)19(24)18-8-5-11-23(20(18)25)14-17-6-3-2-4-7-17/h2-8,11,16H,9-10,12-15H2,1H3
InChIKeyXXNWWTXBLYEZCQ-UHFFFAOYSA-N
XLogP2.26
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one?
The IUPAC name of 1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one (CID 71874880) is 1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one is CC1COC2(CCN(C(=O)c3cccn(Cc4ccccc4)c3=O)CC2)O1.
What is the InChIKey of 1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one?
The InChIKey is XXNWWTXBLYEZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16-15-26-21(27-16)9-12-22(13-10-21)19(24)18-8-5-11-23(20(18)25)14-17-6-3-2-4-7-17/h2-8,11,16H,9-10,12-15H2,1H3.
What are the key properties of 1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one?
1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one has a molecular weight of 368.43 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one is sourced from PubChem (CID 71874880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).