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

C16H22ClN5O3 — CID 120644350

IUPAC2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
SMILESCOc1cccc(C(=O)Nc2nc(C3CCNCC3)nn2C)c1O.Cl
InChIInChI=1S/C16H21N5O3.ClH/c1-21-16(18-14(20-21)10-6-8-17-9-7-10)19-15(23)11-4-3-5-12(24-2)13(11)22;/h3-5,10,17,22H,6-9H2,1-2H3,(H,18,19,20,23);1H
InChIKeyYRLFLQUKYFYYQR-UHFFFAOYSA-N
MW367.84 g/mol
LogP1.67
Rot. Bonds4

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

2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride (PubChem CID 120644350) has the molecular formula C16H22ClN5O3 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
PubChem CID120644350
Molecular FormulaC16H22ClN5O3
Molecular Weight367.84 g/mol
Exact Mass367.14
IUPAC Name2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
SMILESCOc1cccc(C(=O)Nc2nc(C3CCNCC3)nn2C)c1O.Cl
InChIInChI=1S/C16H21N5O3.ClH/c1-21-16(18-14(20-21)10-6-8-17-9-7-10)19-15(23)11-4-3-5-12(24-2)13(11)22;/h3-5,10,17,22H,6-9H2,1-2H3,(H,18,19,20,23);1H
InChIKeyYRLFLQUKYFYYQR-UHFFFAOYSA-N
XLogP1.67
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643936
2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120641815
3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644463
3-(methoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643387
3-(difluoromethoxy)-4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120644384
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride
CID 120644546
3-chloro-5-fluoro-2-hydroxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120641658
3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride
CID 120641846
4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120642134
2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120643744

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride?
The IUPAC name of 2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride (CID 120644350) is 2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride?
The canonical SMILES for 2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride is COc1cccc(C(=O)Nc2nc(C3CCNCC3)nn2C)c1O.Cl.
What is the InChIKey of 2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride?
The InChIKey is YRLFLQUKYFYYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3.ClH/c1-21-16(18-14(20-21)10-6-8-17-9-7-10)19-15(23)11-4-3-5-12(24-2)13(11)22;/h3-5,10,17,22H,6-9H2,1-2H3,(H,18,19,20,23);1H.
What are the key properties of 2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride?
2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride has a molecular weight of 367.84 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 120644350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).