N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide

C23H33N2O3+ — CID 7540170

IUPACN-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCC[C@@H]1CCCC[NH+]1Cc1c(O)ccc2oc(C)c(C(=O)NC3CCCC3)c12
InChIInChI=1S/C23H32N2O3/c1-3-17-10-6-7-13-25(17)14-18-19(26)11-12-20-22(18)21(15(2)28-20)23(27)24-16-8-4-5-9-16/h11-12,16-17,26H,3-10,13-14H2,1-2H3,(H,24,27)/p+1/t17-/m1/s1
InChIKeyLUOAUFONAUWTNQ-QGZVFWFLSA-O
MW385.53 g/mol
LogP3.47
Rot. Bonds5

About N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide

N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 7540170) has the molecular formula C23H33N2O3+ and a molecular weight of 385.53 g/mol. Its IUPAC name is N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID7540170
Molecular FormulaC23H33N2O3+
Molecular Weight385.53 g/mol
Exact Mass385.25
IUPAC NameN-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCC[C@@H]1CCCC[NH+]1Cc1c(O)ccc2oc(C)c(C(=O)NC3CCCC3)c12
InChIInChI=1S/C23H32N2O3/c1-3-17-10-6-7-13-25(17)14-18-19(26)11-12-20-22(18)21(15(2)28-20)23(27)24-16-8-4-5-9-16/h11-12,16-17,26H,3-10,13-14H2,1-2H3,(H,24,27)/p+1/t17-/m1/s1
InChIKeyLUOAUFONAUWTNQ-QGZVFWFLSA-O
XLogP3.47
TPSA66.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide 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

4-(azepan-1-ylmethyl)-N-cyclohexyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 7540289
N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 18593788
4-[[bis(prop-2-enyl)amino]methyl]-N-cyclopentyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 7540345
N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 7540208
N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
CID 139314089
N-benzyl-5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-3-carboxamide
CID 7540164
5-hydroxy-2-methyl-N-(4-methylphenyl)-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 7540213
N-benzyl-5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 7540210
methyl 5-hydroxy-2-methyl-4-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate
CID 16800660
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073
N-benzyl-5-hydroxy-2-methyl-4-[[(2S)-2-methylpiperidin-1-yl]methyl]-1-benzofuran-3-carboxamide
CID 7540060
5-hydroxy-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide
CID 163380246

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide (CID 7540170) is N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide is CC[C@@H]1CCCC[NH+]1Cc1c(O)ccc2oc(C)c(C(=O)NC3CCCC3)c12.
What is the InChIKey of N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is LUOAUFONAUWTNQ-QGZVFWFLSA-O. The full InChI is InChI=1S/C23H32N2O3/c1-3-17-10-6-7-13-25(17)14-18-19(26)11-12-20-22(18)21(15(2)28-20)23(27)24-16-8-4-5-9-16/h11-12,16-17,26H,3-10,13-14H2,1-2H3,(H,24,27)/p+1/t17-/m1/s1.
What are the key properties of N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 7540170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).