4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C23H27N3O4 — CID 42820110

IUPAC4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccccc1C(=O)N1C(C(=O)NCc2ccccn2)COC12CCCCC2
InChIInChI=1S/C23H27N3O4/c1-29-20-11-4-3-10-18(20)22(28)26-19(16-30-23(26)12-6-2-7-13-23)21(27)25-15-17-9-5-8-14-24-17/h3-5,8-11,14,19H,2,6-7,12-13,15-16H2,1H3,(H,25,27)
InChIKeyRIXGGMWAWJUORV-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.91
Rot. Bonds5

About 4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 42820110) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID42820110
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccccc1C(=O)N1C(C(=O)NCc2ccccn2)COC12CCCCC2
InChIInChI=1S/C23H27N3O4/c1-29-20-11-4-3-10-18(20)22(28)26-19(16-30-23(26)12-6-2-7-13-23)21(27)25-15-17-9-5-8-14-24-17/h3-5,8-11,14,19H,2,6-7,12-13,15-16H2,1H3,(H,25,27)
InChIKeyRIXGGMWAWJUORV-UHFFFAOYSA-N
XLogP2.91
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955285
(3S)-8-(4-fluorobenzoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137687
8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 83285217
8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 83279484
1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004432
(3S)-4,8-bis(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137595
4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820960
(3S)-8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136792
(3R)-4-(4-methylbenzoyl)-N-(pyridin-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137954
4-(cyclopentanecarbonyl)-8-methyl-N-(2-pyridin-2-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42882206
(3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658374
(2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 95717707

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 42820110) is 4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is COc1ccccc1C(=O)N1C(C(=O)NCc2ccccn2)COC12CCCCC2.
What is the InChIKey of 4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is RIXGGMWAWJUORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-29-20-11-4-3-10-18(20)22(28)26-19(16-30-23(26)12-6-2-7-13-23)21(27)25-15-17-9-5-8-14-24-17/h3-5,8-11,14,19H,2,6-7,12-13,15-16H2,1H3,(H,25,27).
What are the key properties of 4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42820110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).