1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide

C11H17N5O2 — CID 78927453

IUPAC1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2n[nH]c(C)n2)CC1
InChIInChI=1S/C11H17N5O2/c1-7-12-11(15-14-7)13-10(18)9-3-5-16(6-4-9)8(2)17/h9H,3-6H2,1-2H3,(H2,12,13,14,15,18)
InChIKeyNLMGQXZZFLMDFX-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.31
Rot. Bonds2

About 1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide

1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (PubChem CID 78927453) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
PubChem CID78927453
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2n[nH]c(C)n2)CC1
InChIInChI=1S/C11H17N5O2/c1-7-12-11(15-14-7)13-10(18)9-3-5-16(6-4-9)8(2)17/h9H,3-6H2,1-2H3,(H2,12,13,14,15,18)
InChIKeyNLMGQXZZFLMDFX-UHFFFAOYSA-N
XLogP0.31
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide 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 1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (CID 78927453) is 1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2n[nH]c(C)n2)CC1.
What is the InChIKey of 1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The InChIKey is NLMGQXZZFLMDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-12-11(15-14-7)13-10(18)9-3-5-16(6-4-9)8(2)17/h9H,3-6H2,1-2H3,(H2,12,13,14,15,18).
What are the key properties of 1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 78927453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).