2-amino-5-methoxy-N-piperidin-1-ylbenzamide

C13H19N3O2 — CID 83013031

IUPAC2-amino-5-methoxy-N-piperidin-1-ylbenzamide
SMILESCOc1ccc(N)c(C(=O)NN2CCCCC2)c1
InChIInChI=1S/C13H19N3O2/c1-18-10-5-6-12(14)11(9-10)13(17)15-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,14H2,1H3,(H,15,17)
InChIKeyQNLKKIGAGRXMGD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.41
Rot. Bonds3

About 2-amino-5-methoxy-N-piperidin-1-ylbenzamide

2-amino-5-methoxy-N-piperidin-1-ylbenzamide (PubChem CID 83013031) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-piperidin-1-ylbenzamide
PubChem CID83013031
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-5-methoxy-N-piperidin-1-ylbenzamide
SMILESCOc1ccc(N)c(C(=O)NN2CCCCC2)c1
InChIInChI=1S/C13H19N3O2/c1-18-10-5-6-12(14)11(9-10)13(17)15-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,14H2,1H3,(H,15,17)
InChIKeyQNLKKIGAGRXMGD-UHFFFAOYSA-N
XLogP1.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-methoxy-N-morpholin-4-ylbenzamide
CID 83012888
2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide
CID 61241340
2,4,5-trimethoxy-N-piperidin-1-ylbenzamide
CID 9271097
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
methyl 2-amino-5-methoxybenzoate
CID 13052275
2-amino-5-methoxy-N',N'-dimethylbenzohydrazide
CID 83012633
2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide
CID 115413669
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-5-hydroxy-N-morpholin-4-ylbenzamide
CID 107075854
methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
CID 54959759
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 115413408

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-piperidin-1-ylbenzamide?
The IUPAC name of 2-amino-5-methoxy-N-piperidin-1-ylbenzamide (CID 83013031) is 2-amino-5-methoxy-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-amino-5-methoxy-N-piperidin-1-ylbenzamide?
The canonical SMILES for 2-amino-5-methoxy-N-piperidin-1-ylbenzamide is COc1ccc(N)c(C(=O)NN2CCCCC2)c1.
What is the InChIKey of 2-amino-5-methoxy-N-piperidin-1-ylbenzamide?
The InChIKey is QNLKKIGAGRXMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-10-5-6-12(14)11(9-10)13(17)15-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-5-methoxy-N-piperidin-1-ylbenzamide?
2-amino-5-methoxy-N-piperidin-1-ylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 83013031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).