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

C20H21N5O2 — CID 47558112

IUPAC1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2n[nH]c(-c3cccc4ccccc34)n2)CC1
InChIInChI=1S/C20H21N5O2/c1-13(26)25-11-9-15(10-12-25)19(27)22-20-21-18(23-24-20)17-8-4-6-14-5-2-3-7-16(14)17/h2-8,15H,9-12H2,1H3,(H2,21,22,23,24,27)
InChIKeyYKBSOKOLCLMYNF-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.82
Rot. Bonds3

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

1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (PubChem CID 47558112) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
PubChem CID47558112
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2n[nH]c(-c3cccc4ccccc34)n2)CC1
InChIInChI=1S/C20H21N5O2/c1-13(26)25-11-9-15(10-12-25)19(27)22-20-21-18(23-24-20)17-8-4-6-14-5-2-3-7-16(14)17/h2-8,15H,9-12H2,1H3,(H2,21,22,23,24,27)
InChIKeyYKBSOKOLCLMYNF-UHFFFAOYSA-N
XLogP2.82
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-(5-naphthalen-1-yl-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-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (CID 47558112) is 1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2n[nH]c(-c3cccc4ccccc34)n2)CC1.
What is the InChIKey of 1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The InChIKey is YKBSOKOLCLMYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13(26)25-11-9-15(10-12-25)19(27)22-20-21-18(23-24-20)17-8-4-6-14-5-2-3-7-16(14)17/h2-8,15H,9-12H2,1H3,(H2,21,22,23,24,27).
What are the key properties of 1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 47558112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).