(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone

C21H28N2O — CID 138035435

IUPAC(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
SMILESO=C(C1CC2(CC2)C1)N1CCC2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C21H28N2O/c24-19(18-12-20(13-18)6-7-20)23-11-9-21(16-23)8-10-22(15-21)14-17-4-2-1-3-5-17/h1-5,18H,6-16H2
InChIKeyQWBAMXYZZUYIPE-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.30
Rot. Bonds3

About (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone

(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone (PubChem CID 138035435) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone.

Molecular Properties

Compound Name(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
PubChem CID138035435
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
SMILESO=C(C1CC2(CC2)C1)N1CCC2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C21H28N2O/c24-19(18-12-20(13-18)6-7-20)23-11-9-21(16-23)8-10-22(15-21)14-17-4-2-1-3-5-17/h1-5,18H,6-16H2
InChIKeyQWBAMXYZZUYIPE-UHFFFAOYSA-N
XLogP3.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone with MolForge

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Related Compounds

[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone
CID 98287421
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
CID 166199217
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 138998943
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methanone;dihydrochloride
CID 120800295
cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45238198
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
1-(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
CID 138998010
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one
CID 120873764
tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943

Frequently Asked Questions

What is the IUPAC name of (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone?
The IUPAC name of (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone (CID 138035435) is (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone.
What is the SMILES notation for (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone?
The canonical SMILES for (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone is O=C(C1CC2(CC2)C1)N1CCC2(CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone?
The InChIKey is QWBAMXYZZUYIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c24-19(18-12-20(13-18)6-7-20)23-11-9-21(16-23)8-10-22(15-21)14-17-4-2-1-3-5-17/h1-5,18H,6-16H2.
What are the key properties of (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone?
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone has a molecular weight of 324.47 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone is sourced from PubChem (CID 138035435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).