1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone

C15H20N2O — CID 121451704

IUPAC1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC23CCNC3)cc1
InChIInChI=1S/C15H20N2O/c1-12-3-5-13(6-4-12)14(18)17-10-2-7-15(17)8-9-16-11-15/h3-6,16H,2,7-11H2,1H3
InChIKeyWNTULNLWSHVBGI-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.96
Rot. Bonds1

About 1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone

1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone (PubChem CID 121451704) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Name1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone
PubChem CID121451704
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC23CCNC3)cc1
InChIInChI=1S/C15H20N2O/c1-12-3-5-13(6-4-12)14(18)17-10-2-7-15(17)8-9-16-11-15/h3-6,16H,2,7-11H2,1H3
InChIKeyWNTULNLWSHVBGI-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone?
The IUPAC name of 1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone (CID 121451704) is 1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone.
What is the SMILES notation for 1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone?
The canonical SMILES for 1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCC23CCNC3)cc1.
What is the InChIKey of 1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone?
The InChIKey is WNTULNLWSHVBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-3-5-13(6-4-12)14(18)17-10-2-7-15(17)8-9-16-11-15/h3-6,16H,2,7-11H2,1H3.
What are the key properties of 1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone?
1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone has a molecular weight of 244.34 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 121451704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).