5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide

C16H21N5O2 — CID 169403649

IUPAC5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cccc(OCCN2CCCCC2)c1
InChIInChI=1S/C16H21N5O2/c17-16(22)15-14(18-20-19-15)12-5-4-6-13(11-12)23-10-9-21-7-2-1-3-8-21/h4-6,11H,1-3,7-10H2,(H2,17,22)(H,18,19,20)
InChIKeyQDXUQAFRQDQXBA-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.44
Rot. Bonds6

About 5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide

5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403649) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
PubChem CID169403649
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cccc(OCCN2CCCCC2)c1
InChIInChI=1S/C16H21N5O2/c17-16(22)15-14(18-20-19-15)12-5-4-6-13(11-12)23-10-9-21-7-2-1-3-8-21/h4-6,11H,1-3,7-10H2,(H2,17,22)(H,18,19,20)
InChIKeyQDXUQAFRQDQXBA-UHFFFAOYSA-N
XLogP1.44
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-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

Related Compounds

5-[3-(azepan-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402644
5-[2-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403652
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403538
5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402542
6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine
CID 58103107
4-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrrole-2-carboxylic acid
CID 167844599
5-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]-2H-triazole-4-carbonitrile
CID 146558143
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
CID 67428226
5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403109
1-(oxan-2-yl)-3-[3-(2-piperidin-1-ylethoxy)phenyl]indazole-5-carboxamide
CID 69421898

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide (CID 169403649) is 5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1cccc(OCCN2CCCCC2)c1.
What is the InChIKey of 5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is QDXUQAFRQDQXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c17-16(22)15-14(18-20-19-15)12-5-4-6-13(11-12)23-10-9-21-7-2-1-3-8-21/h4-6,11H,1-3,7-10H2,(H2,17,22)(H,18,19,20).
What are the key properties of 5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide?
5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-piperidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).