N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

C13H23N5O — CID 51080911

IUPACN-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC1CCCN(CCNC(=O)C(C)n2cncn2)C1
InChIInChI=1S/C13H23N5O/c1-11-4-3-6-17(8-11)7-5-15-13(19)12(2)18-10-14-9-16-18/h9-12H,3-8H2,1-2H3,(H,15,19)
InChIKeyXPHIHSRGOBNVIZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.69
Rot. Bonds5

About N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 51080911) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID51080911
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC1CCCN(CCNC(=O)C(C)n2cncn2)C1
InChIInChI=1S/C13H23N5O/c1-11-4-3-6-17(8-11)7-5-15-13(19)12(2)18-10-14-9-16-18/h9-12H,3-8H2,1-2H3,(H,15,19)
InChIKeyXPHIHSRGOBNVIZ-UHFFFAOYSA-N
XLogP0.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 51080911) is N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is CC1CCCN(CCNC(=O)C(C)n2cncn2)C1.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is XPHIHSRGOBNVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-11-4-3-6-17(8-11)7-5-15-13(19)12(2)18-10-14-9-16-18/h9-12H,3-8H2,1-2H3,(H,15,19).
What are the key properties of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 51080911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).