2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide

C14H19N3O — CID 112740364

IUPAC2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide
SMILESNC(=O)c1ccccc1N1CCC2(CCNC2)C1
InChIInChI=1S/C14H19N3O/c15-13(18)11-3-1-2-4-12(11)17-8-6-14(10-17)5-7-16-9-14/h1-4,16H,5-10H2,(H2,15,18)
InChIKeyLSRKAHOTOYRZSV-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.98
Rot. Bonds2

About 2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide

2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide (PubChem CID 112740364) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide.

Molecular Properties

Compound Name2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide
PubChem CID112740364
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide
SMILESNC(=O)c1ccccc1N1CCC2(CCNC2)C1
InChIInChI=1S/C14H19N3O/c15-13(18)11-3-1-2-4-12(11)17-8-6-14(10-17)5-7-16-9-14/h1-4,16H,5-10H2,(H2,15,18)
InChIKeyLSRKAHOTOYRZSV-UHFFFAOYSA-N
XLogP0.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane
CID 96706336
1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147406
2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028706
2-(2,8-diazaspiro[5.5]undecan-2-yl)-4-methylbenzamide
CID 102850523
2-(2,8-diazaspiro[5.5]undecan-2-yl)-5-fluorobenzamide
CID 102850753
(2-chlorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 82038205
2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone
CID 82038235
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-phenylethanone
CID 82038242
2-chloro-6-(2,7-diazaspiro[4.4]nonan-2-yl)benzonitrile
CID 112740359
2-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 95228465
2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole
CID 112740355
methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)benzoate
CID 117028734

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide?
The IUPAC name of 2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide (CID 112740364) is 2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide.
What is the SMILES notation for 2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide?
The canonical SMILES for 2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide is NC(=O)c1ccccc1N1CCC2(CCNC2)C1.
What is the InChIKey of 2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide?
The InChIKey is LSRKAHOTOYRZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-13(18)11-3-1-2-4-12(11)17-8-6-14(10-17)5-7-16-9-14/h1-4,16H,5-10H2,(H2,15,18).
What are the key properties of 2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide?
2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide has a molecular weight of 245.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide is sourced from PubChem (CID 112740364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).