3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide

C13H23N5O — CID 63130828

IUPAC3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)c2nncn2C)CCCNC1
InChIInChI=1S/C13H23N5O/c1-4-13(6-5-7-14-8-13)12(19)16-10(2)11-17-15-9-18(11)3/h9-10,14H,4-8H2,1-3H3,(H,16,19)
InChIKeyOXNHVLXSVWMAPZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.77
Rot. Bonds4

About 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide

3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 63130828) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID63130828
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)c2nncn2C)CCCNC1
InChIInChI=1S/C13H23N5O/c1-4-13(6-5-7-14-8-13)12(19)16-10(2)11-17-15-9-18(11)3/h9-10,14H,4-8H2,1-3H3,(H,16,19)
InChIKeyOXNHVLXSVWMAPZ-UHFFFAOYSA-N
XLogP0.77
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63139112
2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 83071948
3-ethyl-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 63130581
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60941712
3-ethyl-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407453
3-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-3-carboxamide
CID 106388269
N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide
CID 63130128
2-[1-[(3-ethylpiperidine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379247
3-ethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147886
3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide
CID 63130413
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 43706301

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide (CID 63130828) is 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide is CCC1(C(=O)NC(C)c2nncn2C)CCCNC1.
What is the InChIKey of 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is OXNHVLXSVWMAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-13(6-5-7-14-8-13)12(19)16-10(2)11-17-15-9-18(11)3/h9-10,14H,4-8H2,1-3H3,(H,16,19).
What are the key properties of 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 63130828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).