2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one

C22H26N2O — CID 130416499

IUPAC2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one
SMILESCN1CCC(=O)C2(CCN(C(c3ccccc3)c3ccccc3)C2)C1
InChIInChI=1S/C22H26N2O/c1-23-14-12-20(25)22(16-23)13-15-24(17-22)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,21H,12-17H2,1H3
InChIKeyBXPPARZQSMWHAV-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.37
Rot. Bonds3

About 2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one

2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one (PubChem CID 130416499) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one
PubChem CID130416499
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one
SMILESCN1CCC(=O)C2(CCN(C(c3ccccc3)c3ccccc3)C2)C1
InChIInChI=1S/C22H26N2O/c1-23-14-12-20(25)22(16-23)13-15-24(17-22)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,21H,12-17H2,1H3
InChIKeyBXPPARZQSMWHAV-UHFFFAOYSA-N
XLogP3.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-4-methylpiperazine
CID 6726
(1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 6355846
3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione
CID 23321812
1-benzhydryl-4-phenylpiperidine-4-carbaldehyde
CID 10428299
1-(2-benzhydryl-2,7-diazaspiro[3.5]nonan-7-yl)-2-methoxyethanone
CID 3234333
(4R)-6-methyl-6-azaspiro[3.5]nonan-3-one
CID 129450959
5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane
CID 167092209
2-methyl-2,9-diazaspiro[4.5]decan-6-one
CID 82413175
3-acetyl-1,3-dimethylpiperidin-4-one;toluene
CID 158773280
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
2-(1-benzhydryl-3-hydroxyazetidin-3-yl)-3,3-dimethylbutanoic acid
CID 67051529
1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol
CID 11441159

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one (CID 130416499) is 2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one is CN1CCC(=O)C2(CCN(C(c3ccccc3)c3ccccc3)C2)C1.
What is the InChIKey of 2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one?
The InChIKey is BXPPARZQSMWHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-23-14-12-20(25)22(16-23)13-15-24(17-22)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,21H,12-17H2,1H3.
What are the key properties of 2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one?
2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one has a molecular weight of 334.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 130416499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).