2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone

C18H26N2O — CID 102849786

IUPAC2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCCC3(CCCNC3)C2)c1
InChIInChI=1S/C18H26N2O/c1-14-9-15(2)11-16(10-14)17(21)20-8-4-6-18(13-20)5-3-7-19-12-18/h9-11,19H,3-8,12-13H2,1-2H3
InChIKeyJEMOFVQBYHDBLQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds1

About 2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone

2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone (PubChem CID 102849786) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
PubChem CID102849786
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCCC3(CCCNC3)C2)c1
InChIInChI=1S/C18H26N2O/c1-14-9-15(2)11-16(10-14)17(21)20-8-4-6-18(13-20)5-3-7-19-12-18/h9-11,19H,3-8,12-13H2,1-2H3
InChIKeyJEMOFVQBYHDBLQ-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone (CID 102849786) is 2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)N2CCCC3(CCCNC3)C2)c1.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone?
The InChIKey is JEMOFVQBYHDBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-9-15(2)11-16(10-14)17(21)20-8-4-6-18(13-20)5-3-7-19-12-18/h9-11,19H,3-8,12-13H2,1-2H3.
What are the key properties of 2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone?
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 102849786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).