N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride

C17H24ClN5O — CID 154912762

IUPACN-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride
SMILESCc1c(NC(=O)CC2CCNCC2)cccc1-c1nncn1C.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-12-14(17-21-19-11-22(17)2)4-3-5-15(12)20-16(23)10-13-6-8-18-9-7-13;/h3-5,11,13,18H,6-10H2,1-2H3,(H,20,23);1H
InChIKeyMTAAEZAVCYOBNO-UHFFFAOYSA-N
MW349.87 g/mol
LogP2.54
Rot. Bonds4

About N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride

N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride (PubChem CID 154912762) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride
PubChem CID154912762
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC NameN-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride
SMILESCc1c(NC(=O)CC2CCNCC2)cccc1-c1nncn1C.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-12-14(17-21-19-11-22(17)2)4-3-5-15(12)20-16(23)10-13-6-8-18-9-7-13;/h3-5,11,13,18H,6-10H2,1-2H3,(H,20,23);1H
InChIKeyMTAAEZAVCYOBNO-UHFFFAOYSA-N
XLogP2.54
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride 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

2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131944894
N-(2-hydroxy-3-methylphenyl)-2-piperidin-4-ylacetamide
CID 79602863
2-(cyclopropylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60842162
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 63007220
N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
CID 131943131
N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119693548
3-(1,3-benzodioxol-5-yl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 131924863
N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide
CID 81494966
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 43706680
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 43706685
1-methyl-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126423852
2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688873

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride (CID 154912762) is N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride is Cc1c(NC(=O)CC2CCNCC2)cccc1-c1nncn1C.Cl.
What is the InChIKey of N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is MTAAEZAVCYOBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.ClH/c1-12-14(17-21-19-11-22(17)2)4-3-5-15(12)20-16(23)10-13-6-8-18-9-7-13;/h3-5,11,13,18H,6-10H2,1-2H3,(H,20,23);1H.
What are the key properties of N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride?
N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 349.87 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 154912762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).