2,3-dimethylbenzamide;piperidine-1-carboxylic acid

C15H22N2O3 — CID 174249980

IUPAC2,3-dimethylbenzamide;piperidine-1-carboxylic acid
SMILESCc1cccc(C(N)=O)c1C.O=C(O)N1CCCCC1
InChIInChI=1S/C9H11NO.C6H11NO2/c1-6-4-3-5-8(7(6)2)9(10)11;8-6(9)7-4-2-1-3-5-7/h3-5H,1-2H3,(H2,10,11);1-5H2,(H,8,9)
InChIKeyXBIMZJJRKPLUTO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.55
Rot. Bonds1

About 2,3-dimethylbenzamide;piperidine-1-carboxylic acid

2,3-dimethylbenzamide;piperidine-1-carboxylic acid (PubChem CID 174249980) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,3-dimethylbenzamide;piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethylbenzamide;piperidine-1-carboxylic acid
PubChem CID174249980
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2,3-dimethylbenzamide;piperidine-1-carboxylic acid
SMILESCc1cccc(C(N)=O)c1C.O=C(O)N1CCCCC1
InChIInChI=1S/C9H11NO.C6H11NO2/c1-6-4-3-5-8(7(6)2)9(10)11;8-6(9)7-4-2-1-3-5-7/h3-5H,1-2H3,(H2,10,11);1-5H2,(H,8,9)
InChIKeyXBIMZJJRKPLUTO-UHFFFAOYSA-N
XLogP2.55
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethylbenzamide;ethane
CID 143389789
2-aminobenzamide;piperidine-1-carboxylic acid
CID 174784714
2-methyl-3-pyrrolidin-1-ylbenzamide
CID 154257026
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
2-methyl-3-[[5-methyl-4-(piperidine-1-carbonyl)naphthalen-1-yl]amino]benzamide
CID 71186269
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629
1-(2,3-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one
CID 137331652
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
2,3-dimethylbenzoyl iodide
CID 87941796
[2-(aminomethyl)azepan-1-yl]-(2,3-dimethylphenyl)methanone
CID 116640061

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbenzamide;piperidine-1-carboxylic acid?
The IUPAC name of 2,3-dimethylbenzamide;piperidine-1-carboxylic acid (CID 174249980) is 2,3-dimethylbenzamide;piperidine-1-carboxylic acid.
What is the SMILES notation for 2,3-dimethylbenzamide;piperidine-1-carboxylic acid?
The canonical SMILES for 2,3-dimethylbenzamide;piperidine-1-carboxylic acid is Cc1cccc(C(N)=O)c1C.O=C(O)N1CCCCC1.
What is the InChIKey of 2,3-dimethylbenzamide;piperidine-1-carboxylic acid?
The InChIKey is XBIMZJJRKPLUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C6H11NO2/c1-6-4-3-5-8(7(6)2)9(10)11;8-6(9)7-4-2-1-3-5-7/h3-5H,1-2H3,(H2,10,11);1-5H2,(H,8,9).
What are the key properties of 2,3-dimethylbenzamide;piperidine-1-carboxylic acid?
2,3-dimethylbenzamide;piperidine-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbenzamide;piperidine-1-carboxylic acid is sourced from PubChem (CID 174249980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).