1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide

C19H27N5O2 — CID 119734208

IUPAC1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide
SMILESCCCOCc1ccccc1CNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H27N5O2/c1-2-11-26-14-16-6-4-3-5-15(16)12-21-19(25)18-13-24(23-22-18)17-7-9-20-10-8-17/h3-6,13,17,20H,2,7-12,14H2,1H3,(H,21,25)
InChIKeyGBWLNKHFMFYGGJ-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.06
Rot. Bonds8

About 1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide

1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 119734208) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide
PubChem CID119734208
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide
SMILESCCCOCc1ccccc1CNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H27N5O2/c1-2-11-26-14-16-6-4-3-5-15(16)12-21-19(25)18-13-24(23-22-18)17-7-9-20-10-8-17/h3-6,13,17,20H,2,7-12,14H2,1H3,(H,21,25)
InChIKeyGBWLNKHFMFYGGJ-UHFFFAOYSA-N
XLogP2.06
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]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

N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119845153
N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119700358
1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119690612
1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
CID 75419659
N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119763497
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119816488
N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119705244
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
ethyl 2-phenyl-3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]propanoate;hydrochloride
CID 119805449
N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119727861

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide (CID 119734208) is 1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide is CCCOCc1ccccc1CNC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is GBWLNKHFMFYGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-2-11-26-14-16-6-4-3-5-15(16)12-21-19(25)18-13-24(23-22-18)17-7-9-20-10-8-17/h3-6,13,17,20H,2,7-12,14H2,1H3,(H,21,25).
What are the key properties of 1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide?
1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 119734208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).