9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one

C23H27N3O2 — CID 121499610

IUPAC9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(-c2cccc(C(=O)N3CCC4(CCC(=O)NC4)CC3)c2)c(C)n1
InChIInChI=1S/C23H27N3O2/c1-16-6-7-20(17(2)25-16)18-4-3-5-19(14-18)22(28)26-12-10-23(11-13-26)9-8-21(27)24-15-23/h3-7,14H,8-13,15H2,1-2H3,(H,24,27)
InChIKeyGHMKCJROAQQCGL-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.50
Rot. Bonds2

About 9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one

9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 121499610) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID121499610
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(-c2cccc(C(=O)N3CCC4(CCC(=O)NC4)CC3)c2)c(C)n1
InChIInChI=1S/C23H27N3O2/c1-16-6-7-20(17(2)25-16)18-4-3-5-19(14-18)22(28)26-12-10-23(11-13-26)9-8-21(27)24-15-23/h3-7,14H,8-13,15H2,1-2H3,(H,24,27)
InChIKeyGHMKCJROAQQCGL-UHFFFAOYSA-N
XLogP3.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131680253
8-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70753586
2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72861143
8-(2-oxo-1H-pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103766120
9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 155579356
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98896666
3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56715208
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103755680
2-ethyl-8-[3-(1H-imidazol-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72928212
(2R)-1-[3-(4-methoxy-2-methylphenyl)benzoyl]-2-methyl-1,4-diazepan-5-one
CID 126432118
2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone
CID 122561012
2-[3-(piperidin-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.4]nonan-8-one
CID 128714057

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 121499610) is 9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1ccc(-c2cccc(C(=O)N3CCC4(CCC(=O)NC4)CC3)c2)c(C)n1.
What is the InChIKey of 9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GHMKCJROAQQCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-6-7-20(17(2)25-16)18-4-3-5-19(14-18)22(28)26-12-10-23(11-13-26)9-8-21(27)24-15-23/h3-7,14H,8-13,15H2,1-2H3,(H,24,27).
What are the key properties of 9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one?
9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 377.49 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,6-dimethyl-3-pyridinyl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 121499610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).