N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride

C17H23ClN6O2 — CID 120642991

IUPACN-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C17H22N6O2.ClH/c1-23-17(21-15(22-23)12-7-9-18-10-8-12)20-14(24)11-19-16(25)13-5-3-2-4-6-13;/h2-6,12,18H,7-11H2,1H3,(H,19,25)(H,20,21,22,24);1H
InChIKeyNJYWBWHHWCHRAH-UHFFFAOYSA-N
MW378.86 g/mol
LogP1.07
Rot. Bonds5

About N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride

N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride (PubChem CID 120642991) has the molecular formula C17H23ClN6O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride
PubChem CID120642991
Molecular FormulaC17H23ClN6O2
Molecular Weight378.86 g/mol
Exact Mass378.16
IUPAC NameN-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C17H22N6O2.ClH/c1-23-17(21-15(22-23)12-7-9-18-10-8-12)20-14(24)11-19-16(25)13-5-3-2-4-6-13;/h2-6,12,18H,7-11H2,1H3,(H,19,25)(H,20,21,22,24);1H
InChIKeyNJYWBWHHWCHRAH-UHFFFAOYSA-N
XLogP1.07
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride with MolForge

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Related Compounds

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide
CID 120642790
1-N-(2,2-dimethylpropyl)-4-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzene-1,4-dicarboxamide
CID 120642634
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride
CID 120641846
N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 120642100
1-benzyl-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120644407
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-propylbenzamide;hydrochloride
CID 120644118
2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120643521
3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
2-(2,6-dimethylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120645086
4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644889
3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642245
2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120641815

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride (CID 120642991) is N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride is Cl.Cn1nc(C2CCNCC2)nc1NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is NJYWBWHHWCHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2.ClH/c1-23-17(21-15(22-23)12-7-9-18-10-8-12)20-14(24)11-19-16(25)13-5-3-2-4-6-13;/h2-6,12,18H,7-11H2,1H3,(H,19,25)(H,20,21,22,24);1H.
What are the key properties of N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride?
N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 120642991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).