2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone

C15H20N2O — CID 82038241

IUPAC2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC3(CCNC3)C2)c1
InChIInChI=1S/C15H20N2O/c1-12-3-2-4-13(9-12)14(18)17-8-6-15(11-17)5-7-16-10-15/h2-4,9,16H,5-8,10-11H2,1H3
InChIKeyDCVSXXPIYPGUBI-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.82
Rot. Bonds1

About 2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone

2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone (PubChem CID 82038241) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone.

Molecular Properties

Compound Name2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
PubChem CID82038241
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC3(CCNC3)C2)c1
InChIInChI=1S/C15H20N2O/c1-12-3-2-4-13(9-12)14(18)17-8-6-15(11-17)5-7-16-10-15/h2-4,9,16H,5-8,10-11H2,1H3
InChIKeyDCVSXXPIYPGUBI-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone
CID 91764202
2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone
CID 102849918
(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849851
(2-chlorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 82038205
2,8-diazaspiro[5.5]undecan-2-yl-(3-fluorophenyl)methanone;hydrochloride
CID 155841850
2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028701
2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone
CID 82038235
7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996277
3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146415
N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 56758247
2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone
CID 122561012

Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone?
The IUPAC name of 2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone (CID 82038241) is 2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone.
What is the SMILES notation for 2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone?
The canonical SMILES for 2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCC3(CCNC3)C2)c1.
What is the InChIKey of 2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone?
The InChIKey is DCVSXXPIYPGUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-3-2-4-13(9-12)14(18)17-8-6-15(11-17)5-7-16-10-15/h2-4,9,16H,5-8,10-11H2,1H3.
What are the key properties of 2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone?
2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone has a molecular weight of 244.34 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone is sourced from PubChem (CID 82038241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).