N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide

C14H25N5O2 — CID 107842557

IUPACN-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCCCCCO)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H25N5O2/c20-10-4-2-1-3-7-16-14(21)13-11-19(18-17-13)12-5-8-15-9-6-12/h11-12,15,20H,1-10H2,(H,16,21)
InChIKeyMCJBQAOWNWACJS-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.49
Rot. Bonds8

About N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 107842557) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID107842557
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC NameN-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCCCCCO)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H25N5O2/c20-10-4-2-1-3-7-16-14(21)13-11-19(18-17-13)12-5-8-15-9-6-12/h11-12,15,20H,1-10H2,(H,16,21)
InChIKeyMCJBQAOWNWACJS-UHFFFAOYSA-N
XLogP0.49
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-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

N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
CID 63284386
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate
CID 119726260
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119763497
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851112

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 107842557) is N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCCCCCCO)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is MCJBQAOWNWACJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c20-10-4-2-1-3-7-16-14(21)13-11-19(18-17-13)12-5-8-15-9-6-12/h11-12,15,20H,1-10H2,(H,16,21).
What are the key properties of N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 107842557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).