5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

C19H26ClN5O2 — CID 120645055

IUPAC5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1cc2c(cc1C)OC(C(=O)Nc1nc(C3CCNCC3)nn1C)C2.Cl
InChIInChI=1S/C19H25N5O2.ClH/c1-11-8-14-10-16(26-15(14)9-12(11)2)18(25)22-19-21-17(23-24(19)3)13-4-6-20-7-5-13;/h8-9,13,16,20H,4-7,10H2,1-3H3,(H,21,22,23,25);1H
InChIKeyLGUWOQHTNIZSRC-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.26
Rot. Bonds3

About 5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 120645055) has the molecular formula C19H26ClN5O2 and a molecular weight of 391.90 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID120645055
Molecular FormulaC19H26ClN5O2
Molecular Weight391.90 g/mol
Exact Mass391.18
IUPAC Name5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1cc2c(cc1C)OC(C(=O)Nc1nc(C3CCNCC3)nn1C)C2.Cl
InChIInChI=1S/C19H25N5O2.ClH/c1-11-8-14-10-16(26-15(14)9-12(11)2)18(25)22-19-21-17(23-24(19)3)13-4-6-20-7-5-13;/h8-9,13,16,20H,4-7,10H2,1-3H3,(H,21,22,23,25);1H
InChIKeyLGUWOQHTNIZSRC-UHFFFAOYSA-N
XLogP2.26
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;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

5-chloro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 120643334
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120644607
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)cyclohexanecarboxamide;hydrochloride
CID 120641896
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide
CID 120642628
5,6-dimethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119429289
2-(3,5-dichlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
CID 120643076
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide
CID 120642005
2-(3,4-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120643730
3-(3,5-dimethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644988
2-(4-bromo-2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120644142
1-(2,3-dimethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120644683

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (CID 120645055) is 5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is Cc1cc2c(cc1C)OC(C(=O)Nc1nc(C3CCNCC3)nn1C)C2.Cl.
What is the InChIKey of 5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is LGUWOQHTNIZSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.ClH/c1-11-8-14-10-16(26-15(14)9-12(11)2)18(25)22-19-21-17(23-24(19)3)13-4-6-20-7-5-13;/h8-9,13,16,20H,4-7,10H2,1-3H3,(H,21,22,23,25);1H.
What are the key properties of 5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120645055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).