N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C19H27N5O2 — CID 119745534

IUPACN-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCOc1cccc(C(C)NC(=O)c2nnn(C3CCNCC3)c2C)c1
InChIInChI=1S/C19H27N5O2/c1-4-26-17-7-5-6-15(12-17)13(2)21-19(25)18-14(3)24(23-22-18)16-8-10-20-11-9-16/h5-7,12-13,16,20H,4,8-11H2,1-3H3,(H,21,25)
InChIKeyKXHIKNKAFRPPGL-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.40
Rot. Bonds6

About N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119745534) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119745534
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCOc1cccc(C(C)NC(=O)c2nnn(C3CCNCC3)c2C)c1
InChIInChI=1S/C19H27N5O2/c1-4-26-17-7-5-6-15(12-17)13(2)21-19(25)18-14(3)24(23-22-18)16-8-10-20-11-9-16/h5-7,12-13,16,20H,4,8-11H2,1-3H3,(H,21,25)
InChIKeyKXHIKNKAFRPPGL-UHFFFAOYSA-N
XLogP2.40
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-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-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119745542
5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900380
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119745541
N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119716504
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119692488
5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide
CID 119714993
N-[1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119691786
N-[2-(3-chlorophenoxy)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119807099
ethyl 3-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]-2-phenylpropanoate
CID 119805444
5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride
CID 119809122
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119719869
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119745534) is N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is CCOc1cccc(C(C)NC(=O)c2nnn(C3CCNCC3)c2C)c1.
What is the InChIKey of N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is KXHIKNKAFRPPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-4-26-17-7-5-6-15(12-17)13(2)21-19(25)18-14(3)24(23-22-18)16-8-10-20-11-9-16/h5-7,12-13,16,20H,4,8-11H2,1-3H3,(H,21,25).
What are the key properties of N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119745534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).