[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone

C22H27N3O — CID 125178083

IUPAC[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone
SMILESCc1cccnc1-c1cccc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)c1
InChIInChI=1S/C22H27N3O/c1-17-6-4-11-23-20(17)18-7-3-8-19(14-18)21(26)25-12-5-9-22(16-25)10-13-24(2)15-22/h3-4,6-8,11,14H,5,9-10,12-13,15-16H2,1-2H3/t22-/m1/s1
InChIKeyFCGDNKUFOGWMGB-JOCHJYFZSA-N
MW349.48 g/mol
LogP3.61
Rot. Bonds2

About [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone

[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone (PubChem CID 125178083) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone.

Molecular Properties

Compound Name[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone
PubChem CID125178083
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone
SMILESCc1cccnc1-c1cccc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)c1
InChIInChI=1S/C22H27N3O/c1-17-6-4-11-23-20(17)18-7-3-8-19(14-18)21(26)25-12-5-9-22(16-25)10-13-24(2)15-22/h3-4,6-8,11,14H,5,9-10,12-13,15-16H2,1-2H3/t22-/m1/s1
InChIKeyFCGDNKUFOGWMGB-JOCHJYFZSA-N
XLogP3.61
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone with MolForge

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Related Compounds

(3-hydroxy-2-pyridinyl)-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 56756209
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666
[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4-pyrazolo[1,5-a]pyridin-7-ylphenyl)methanone
CID 125440621
3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one
CID 138035808
[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95229385
(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56759251
(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95218279
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(3-pyrimidin-2-ylphenyl)methanone
CID 125155658
N-[1-[3-(3-hydroxy-2-pyridinyl)benzoyl]piperidin-3-yl]acetamide
CID 121494225
2-ethyl-8-(3-phenylbenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 118792475
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
(3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 97385423

Frequently Asked Questions

What is the IUPAC name of [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone?
The IUPAC name of [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone (CID 125178083) is [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone.
What is the SMILES notation for [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone?
The canonical SMILES for [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone is Cc1cccnc1-c1cccc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)c1.
What is the InChIKey of [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone?
The InChIKey is FCGDNKUFOGWMGB-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17-6-4-11-23-20(17)18-7-3-8-19(14-18)21(26)25-12-5-9-22(16-25)10-13-24(2)15-22/h3-4,6-8,11,14H,5,9-10,12-13,15-16H2,1-2H3/t22-/m1/s1.
What are the key properties of [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone?
[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone has a molecular weight of 349.48 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone is sourced from PubChem (CID 125178083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).