8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one

C22H25N3O2 — CID 171688524

IUPAC8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1cccnc1C(=O)N1CCCC2(CCCN(c3ccccc3)C2=O)C1
InChIInChI=1S/C22H25N3O2/c1-17-8-5-13-23-19(17)20(26)24-14-6-11-22(16-24)12-7-15-25(21(22)27)18-9-3-2-4-10-18/h2-5,8-10,13H,6-7,11-12,14-16H2,1H3
InChIKeyFFCFJHUNOUQFDB-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.44
Rot. Bonds2

About 8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one

8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 171688524) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID171688524
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1cccnc1C(=O)N1CCCC2(CCCN(c3ccccc3)C2=O)C1
InChIInChI=1S/C22H25N3O2/c1-17-8-5-13-23-19(17)20(26)24-14-6-11-22(16-24)12-7-15-25(21(22)27)18-9-3-2-4-10-18/h2-5,8-10,13H,6-7,11-12,14-16H2,1H3
InChIKeyFFCFJHUNOUQFDB-UHFFFAOYSA-N
XLogP3.44
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638499
(5R)-9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490320
9-(cyclopropanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 155875537
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
9-(5-methyl-1,2-oxazole-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 134075107
9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738778
9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738780
(3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104742371
1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 104742274
9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 131679959
(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 110098379
(5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97412333

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one (CID 171688524) is 8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one is Cc1cccnc1C(=O)N1CCCC2(CCCN(c3ccccc3)C2=O)C1.
What is the InChIKey of 8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is FFCFJHUNOUQFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-8-5-13-23-19(17)20(26)24-14-6-11-22(16-24)12-7-15-25(21(22)27)18-9-3-2-4-10-18/h2-5,8-10,13H,6-7,11-12,14-16H2,1H3.
What are the key properties of 8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one?
8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 363.46 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 171688524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).