1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone

C17H24N2O — CID 3234375

IUPAC1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCC(=O)N1CCC2(CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C17H24N2O/c1-15(20)18-12-9-17(10-13-18)8-5-11-19(14-17)16-6-3-2-4-7-16/h2-4,6-7H,5,8-14H2,1H3
InChIKeyKLFHEZZTTUTDQU-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.92
Rot. Bonds1

About 1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone

1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 3234375) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID3234375
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCC(=O)N1CCC2(CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C17H24N2O/c1-15(20)18-12-9-17(10-13-18)8-5-11-19(14-17)16-6-3-2-4-7-16/h2-4,6-7H,5,8-14H2,1H3
InChIKeyKLFHEZZTTUTDQU-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 3234375) is 1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone is CC(=O)N1CCC2(CCCN(c3ccccc3)C2)CC1.
What is the InChIKey of 1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is KLFHEZZTTUTDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-15(20)18-12-9-17(10-13-18)8-5-11-19(14-17)16-6-3-2-4-7-16/h2-4,6-7H,5,8-14H2,1H3.
What are the key properties of 1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 3234375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).