5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride

C16H20Cl2N2O2 — CID 119461945

IUPAC5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2CCCNC2)oc2ccc(Cl)cc12.Cl
InChIInChI=1S/C16H19ClN2O2.ClH/c1-10-13-7-12(17)4-5-14(13)21-15(10)16(20)19-9-11-3-2-6-18-8-11;/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,19,20);1H
InChIKeySKGPXTVOAMYOPT-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.55
Rot. Bonds3

About 5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride

5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119461945) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119461945
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2CCCNC2)oc2ccc(Cl)cc12.Cl
InChIInChI=1S/C16H19ClN2O2.ClH/c1-10-13-7-12(17)4-5-14(13)21-15(10)16(20)19-9-11-3-2-6-18-8-11;/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,19,20);1H
InChIKeySKGPXTVOAMYOPT-UHFFFAOYSA-N
XLogP3.55
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119535509
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765
N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 95756517
3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride
CID 119462752
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119556193
N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119476472
5-chloro-N-[2-(ethylamino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17427942
3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride
CID 119462036
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103751185
5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052731

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride (CID 119461945) is 5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride is Cc1c(C(=O)NCC2CCCNC2)oc2ccc(Cl)cc12.Cl.
What is the InChIKey of 5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is SKGPXTVOAMYOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2.ClH/c1-10-13-7-12(17)4-5-14(13)21-15(10)16(20)19-9-11-3-2-6-18-8-11;/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,19,20);1H.
What are the key properties of 5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride?
5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 343.25 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119461945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).