3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide

C18H25N3O4 — CID 108963508

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1cccnc1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H25N3O4/c1-17(2,15(22)20-13-14-4-3-7-19-12-14)16(23)21-8-5-18(6-9-21)24-10-11-25-18/h3-4,7,12H,5-6,8-11,13H2,1-2H3,(H,20,22)
InChIKeyWPDGPUFVYPFRIW-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.09
Rot. Bonds4

About 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 108963508) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
PubChem CID108963508
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1cccnc1)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H25N3O4/c1-17(2,15(22)20-13-14-4-3-7-19-12-14)16(23)21-8-5-18(6-9-21)24-10-11-25-18/h3-4,7,12H,5-6,8-11,13H2,1-2H3,(H,20,22)
InChIKeyWPDGPUFVYPFRIW-UHFFFAOYSA-N
XLogP1.09
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-oxopropanamide
CID 108961838
3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108963516
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 109148778
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109329875
3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108963536
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258830
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191186
2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide
CID 108959832
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108964051
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
N-butyl-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108957797
3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 76920376

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide (CID 108963508) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide is CC(C)(C(=O)NCc1cccnc1)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is WPDGPUFVYPFRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-17(2,15(22)20-13-14-4-3-7-19-12-14)16(23)21-8-5-18(6-9-21)24-10-11-25-18/h3-4,7,12H,5-6,8-11,13H2,1-2H3,(H,20,22).
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 108963508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).