[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone

C17H25N3O2 — CID 87053369

IUPAC[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
SMILESCN(C)CC1CN(C(=O)c2ccncc2)CC12CCOCC2
InChIInChI=1S/C17H25N3O2/c1-19(2)11-15-12-20(13-17(15)5-9-22-10-6-17)16(21)14-3-7-18-8-4-14/h3-4,7-8,15H,5-6,9-13H2,1-2H3
InChIKeyPGPRZNHCDOOVSF-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.51
Rot. Bonds3

About [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone

[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone (PubChem CID 87053369) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
PubChem CID87053369
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
SMILESCN(C)CC1CN(C(=O)c2ccncc2)CC12CCOCC2
InChIInChI=1S/C17H25N3O2/c1-19(2)11-15-12-20(13-17(15)5-9-22-10-6-17)16(21)14-3-7-18-8-4-14/h3-4,7-8,15H,5-6,9-13H2,1-2H3
InChIKeyPGPRZNHCDOOVSF-UHFFFAOYSA-N
XLogP1.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(6-methoxy-3-pyridinyl)methanone
CID 91927468
(3aS,7aS)-2-(pyridine-4-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628092
(3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 91912523
2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912734
2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924968
(3-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 91912512
pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 124872122
N,N-dimethyl-1-(2-propylsulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
CID 87053400
2,2-dimethyl-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 91924722
(3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 91912387
2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155872032
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 91923037

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone (CID 87053369) is [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone is CN(C)CC1CN(C(=O)c2ccncc2)CC12CCOCC2.
What is the InChIKey of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone?
The InChIKey is PGPRZNHCDOOVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19(2)11-15-12-20(13-17(15)5-9-22-10-6-17)16(21)14-3-7-18-8-4-14/h3-4,7-8,15H,5-6,9-13H2,1-2H3.
What are the key properties of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone?
[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 87053369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).