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

C17H20ClN5O2 — CID 120644546

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)c1coc2ccccc12
InChIInChI=1S/C17H19N5O2.ClH/c1-22-17(19-15(21-22)11-6-8-18-9-7-11)20-16(23)13-10-24-14-5-3-2-4-12(13)14;/h2-5,10-11,18H,6-9H2,1H3,(H,19,20,21,23);1H
InChIKeySYXWMGIVEIUNHD-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.70
Rot. Bonds3

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

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride (PubChem CID 120644546) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride
PubChem CID120644546
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)c1coc2ccccc12
InChIInChI=1S/C17H19N5O2.ClH/c1-22-17(19-15(21-22)11-6-8-18-9-7-11)20-16(23)13-10-24-14-5-3-2-4-12(13)14;/h2-5,10-11,18H,6-9H2,1H3,(H,19,20,21,23);1H
InChIKeySYXWMGIVEIUNHD-UHFFFAOYSA-N
XLogP2.70
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride (CID 120644546) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride is Cl.Cn1nc(C2CCNCC2)nc1NC(=O)c1coc2ccccc12.
What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride?
The InChIKey is SYXWMGIVEIUNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2.ClH/c1-22-17(19-15(21-22)11-6-8-18-9-7-11)20-16(23)13-10-24-14-5-3-2-4-12(13)14;/h2-5,10-11,18H,6-9H2,1H3,(H,19,20,21,23);1H.
What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride has a molecular weight of 361.83 g/mol, XLogP of 2.70, 3 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)-1-benzofuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 120644546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).