4-methyl-2-(piperidin-4-ylamino)benzamide

C13H19N3O — CID 62308857

IUPAC4-methyl-2-(piperidin-4-ylamino)benzamide
SMILESCc1ccc(C(N)=O)c(NC2CCNCC2)c1
InChIInChI=1S/C13H19N3O/c1-9-2-3-11(13(14)17)12(8-9)16-10-4-6-15-7-5-10/h2-3,8,10,15-16H,4-7H2,1H3,(H2,14,17)
InChIKeyNWTWLLQGHFDRIE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.26
Rot. Bonds3

About 4-methyl-2-(piperidin-4-ylamino)benzamide

4-methyl-2-(piperidin-4-ylamino)benzamide (PubChem CID 62308857) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-methyl-2-(piperidin-4-ylamino)benzamide.

Molecular Properties

Compound Name4-methyl-2-(piperidin-4-ylamino)benzamide
PubChem CID62308857
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-methyl-2-(piperidin-4-ylamino)benzamide
SMILESCc1ccc(C(N)=O)c(NC2CCNCC2)c1
InChIInChI=1S/C13H19N3O/c1-9-2-3-11(13(14)17)12(8-9)16-10-4-6-15-7-5-10/h2-3,8,10,15-16H,4-7H2,1H3,(H2,14,17)
InChIKeyNWTWLLQGHFDRIE-UHFFFAOYSA-N
XLogP1.26
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(piperidin-4-ylamino)benzamide?
The IUPAC name of 4-methyl-2-(piperidin-4-ylamino)benzamide (CID 62308857) is 4-methyl-2-(piperidin-4-ylamino)benzamide.
What is the SMILES notation for 4-methyl-2-(piperidin-4-ylamino)benzamide?
The canonical SMILES for 4-methyl-2-(piperidin-4-ylamino)benzamide is Cc1ccc(C(N)=O)c(NC2CCNCC2)c1.
What is the InChIKey of 4-methyl-2-(piperidin-4-ylamino)benzamide?
The InChIKey is NWTWLLQGHFDRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-2-3-11(13(14)17)12(8-9)16-10-4-6-15-7-5-10/h2-3,8,10,15-16H,4-7H2,1H3,(H2,14,17).
What are the key properties of 4-methyl-2-(piperidin-4-ylamino)benzamide?
4-methyl-2-(piperidin-4-ylamino)benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(piperidin-4-ylamino)benzamide is sourced from PubChem (CID 62308857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).