9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C21H28N2O2 — CID 131680583

IUPAC9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)c3ccccc3)CC2)CN1CC1CCC1
InChIInChI=1S/C21H28N2O2/c24-19-9-10-21(16-23(19)15-17-5-4-6-17)11-13-22(14-12-21)20(25)18-7-2-1-3-8-18/h1-3,7-8,17H,4-6,9-16H2
InChIKeyPDJQGYFDQBYQGL-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.33
Rot. Bonds3

About 9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 131680583) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID131680583
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)c3ccccc3)CC2)CN1CC1CCC1
InChIInChI=1S/C21H28N2O2/c24-19-9-10-21(16-23(19)15-17-5-4-6-17)11-13-22(14-12-21)20(25)18-7-2-1-3-8-18/h1-3,7-8,17H,4-6,9-16H2
InChIKeyPDJQGYFDQBYQGL-UHFFFAOYSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 131680583) is 9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(C(=O)c3ccccc3)CC2)CN1CC1CCC1.
What is the InChIKey of 9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PDJQGYFDQBYQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c24-19-9-10-21(16-23(19)15-17-5-4-6-17)11-13-22(14-12-21)20(25)18-7-2-1-3-8-18/h1-3,7-8,17H,4-6,9-16H2.
What are the key properties of 9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 340.47 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131680583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).