N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride

C21H24ClN5O2 — CID 120641846

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H23N5O2.ClH/c1-26-21(23-19(25-26)15-10-12-22-13-11-15)24-20(27)16-6-5-9-18(14-16)28-17-7-3-2-4-8-17;/h2-9,14-15,22H,10-13H2,1H3,(H,23,24,25,27);1H
InChIKeyKOELJFMDUGWLBZ-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.75
Rot. Bonds5

About N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride (PubChem CID 120641846) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride
PubChem CID120641846
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H23N5O2.ClH/c1-26-21(23-19(25-26)15-10-12-22-13-11-15)24-20(27)16-6-5-9-18(14-16)28-17-7-3-2-4-8-17;/h2-9,14-15,22H,10-13H2,1H3,(H,23,24,25,27);1H
InChIKeyKOELJFMDUGWLBZ-UHFFFAOYSA-N
XLogP3.75
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;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

3-(methoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643387
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 120644020
3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
3-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120643486
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644720
N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride
CID 120642991
3-chloro-4-fluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643990
N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 120642444
2,3-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643936
3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644463
2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120644350
2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide
CID 120643052

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride?
The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride (CID 120641846) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride is Cl.Cn1nc(C2CCNCC2)nc1NC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride?
The InChIKey is KOELJFMDUGWLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.ClH/c1-26-21(23-19(25-26)15-10-12-22-13-11-15)24-20(27)16-6-5-9-18(14-16)28-17-7-3-2-4-8-17;/h2-9,14-15,22H,10-13H2,1H3,(H,23,24,25,27);1H.
What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride has a molecular weight of 413.91 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride is sourced from PubChem (CID 120641846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).