1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone

C23H28N2O — CID 3232603

IUPAC1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESCC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1
InChIInChI=1S/C23H28N2O/c1-19(26)24-15-12-23(13-16-24)11-6-14-25(18-23)22-10-5-9-21(17-22)20-7-3-2-4-8-20/h2-5,7-10,17H,6,11-16,18H2,1H3
InChIKeySJTDSZUVRAIERW-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.58
Rot. Bonds2

About 1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone

1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 3232603) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
PubChem CID3232603
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESCC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1
InChIInChI=1S/C23H28N2O/c1-19(26)24-15-12-23(13-16-24)11-6-14-25(18-23)22-10-5-9-21(17-22)20-7-3-2-4-8-20/h2-5,7-10,17H,6,11-16,18H2,1H3
InChIKeySJTDSZUVRAIERW-UHFFFAOYSA-N
XLogP4.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone (CID 3232603) is 1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone is CC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1.
What is the InChIKey of 1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is SJTDSZUVRAIERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-19(26)24-15-12-23(13-16-24)11-6-14-25(18-23)22-10-5-9-21(17-22)20-7-3-2-4-8-20/h2-5,7-10,17H,6,11-16,18H2,1H3.
What are the key properties of 1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 348.49 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 3232603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).