1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone

C25H32N2O2 — CID 3234777

IUPAC1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1
InChIInChI=1S/C25H32N2O2/c1-29-19-23(28)26-17-14-25(15-18-26)13-8-16-27(20-25)24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,24H,8,13-20H2,1H3
InChIKeyLMHDBFQNVSLDMN-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.13
Rot. Bonds5

About 1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone

1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone (PubChem CID 3234777) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone
PubChem CID3234777
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1
InChIInChI=1S/C25H32N2O2/c1-29-19-23(28)26-17-14-25(15-18-26)13-8-16-27(20-25)24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,24H,8,13-20H2,1H3
InChIKeyLMHDBFQNVSLDMN-UHFFFAOYSA-N
XLogP4.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone?
The IUPAC name of 1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone (CID 3234777) is 1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone?
The canonical SMILES for 1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone is COCC(=O)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1.
What is the InChIKey of 1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone?
The InChIKey is LMHDBFQNVSLDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-29-19-23(28)26-17-14-25(15-18-26)13-8-16-27(20-25)24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,24H,8,13-20H2,1H3.
What are the key properties of 1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone?
1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone has a molecular weight of 392.54 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone is sourced from PubChem (CID 3234777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).