1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone

C23H28N2O — CID 3233124

IUPAC1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2
InChIInChI=1S/C23H28N2O/c1-19(26)24-15-11-23(12-16-24)13-17-25(18-14-23)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10H,11-18H2,1H3
InChIKeyCKYQXKPGIVYDMV-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.58
Rot. Bonds2

About 1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone

1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone (PubChem CID 3233124) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone.

Molecular Properties

Compound Name1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
PubChem CID3233124
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2
InChIInChI=1S/C23H28N2O/c1-19(26)24-15-11-23(12-16-24)13-17-25(18-14-23)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10H,11-18H2,1H3
InChIKeyCKYQXKPGIVYDMV-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-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The IUPAC name of 1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone (CID 3233124) is 1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone.
What is the SMILES notation for 1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The canonical SMILES for 1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone is CC(=O)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2.
What is the InChIKey of 1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The InChIKey is CKYQXKPGIVYDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-19(26)24-15-11-23(12-16-24)13-17-25(18-14-23)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10H,11-18H2,1H3.
What are the key properties of 1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
1-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-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-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone is sourced from PubChem (CID 3233124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).