8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one

C21H23N3O2 — CID 131662428

IUPAC8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)C(=O)NCC3c2ccccc2)cn1
InChIInChI=1S/C21H23N3O2/c1-15-7-8-17(13-22-15)19(25)24-11-9-21(10-12-24)18(14-23-20(21)26)16-5-3-2-4-6-16/h2-8,13,18H,9-12,14H2,1H3,(H,23,26)
InChIKeyRYNWFXAUSQSTBD-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.53
Rot. Bonds2

About 8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one

8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 131662428) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID131662428
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)C(=O)NCC3c2ccccc2)cn1
InChIInChI=1S/C21H23N3O2/c1-15-7-8-17(13-22-15)19(25)24-11-9-21(10-12-24)18(14-23-20(21)26)16-5-3-2-4-6-16/h2-8,13,18H,9-12,14H2,1H3,(H,23,26)
InChIKeyRYNWFXAUSQSTBD-UHFFFAOYSA-N
XLogP2.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452785
(4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452786
8-(6-methylpyridine-3-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070712
(4R,5R)-7-(1H-indole-5-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97452861
(5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124812787
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone
CID 97120580
benzyl (4R)-1-oxo-4-phenyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 124560426
[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124989714
(6-methyl-3-pyridinyl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 97452662
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190

Frequently Asked Questions

What is the IUPAC name of 8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (CID 131662428) is 8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is Cc1ccc(C(=O)N2CCC3(CC2)C(=O)NCC3c2ccccc2)cn1.
What is the InChIKey of 8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is RYNWFXAUSQSTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-7-8-17(13-22-15)19(25)24-11-9-21(10-12-24)18(14-23-20(21)26)16-5-3-2-4-6-16/h2-8,13,18H,9-12,14H2,1H3,(H,23,26).
What are the key properties of 8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 349.43 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131662428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).