N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride

C22H25ClN2O3 — CID 120602574

IUPACN-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2oc3ccccc3c2COc2ccccc2)CCN1.Cl
InChIInChI=1S/C22H24N2O3.ClH/c1-15-13-16(11-12-23-15)24-22(25)21-19(14-26-17-7-3-2-4-8-17)18-9-5-6-10-20(18)27-21;/h2-10,15-16,23H,11-14H2,1H3,(H,24,25);1H
InChIKeyYJMQEFNUSQVARS-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.30
Rot. Bonds5

About N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride

N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 120602574) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID120602574
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC NameN-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2oc3ccccc3c2COc2ccccc2)CCN1.Cl
InChIInChI=1S/C22H24N2O3.ClH/c1-15-13-16(11-12-23-15)24-22(25)21-19(14-26-17-7-3-2-4-8-17)18-9-5-6-10-20(18)27-21;/h2-10,15-16,23H,11-14H2,1H3,(H,24,25);1H
InChIKeyYJMQEFNUSQVARS-UHFFFAOYSA-N
XLogP4.30
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylsulfanylmethyl)-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120599514
3-[(4-fluorophenyl)sulfanylmethyl]-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120600262
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119601780
3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119445982
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
N-(2-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide;hydrochloride
CID 120602513
N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551177
5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120602547
N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455
N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18775166
N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18204711

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride (CID 120602574) is N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride is CC1CC(NC(=O)c2oc3ccccc3c2COc2ccccc2)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is YJMQEFNUSQVARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3.ClH/c1-15-13-16(11-12-23-15)24-22(25)21-19(14-26-17-7-3-2-4-8-17)18-9-5-6-10-20(18)27-21;/h2-10,15-16,23H,11-14H2,1H3,(H,24,25);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120602574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).