N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide

C26H38N2O3 — CID 139314089

IUPACN-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OC(C)(C)C)c(CN3CCCCC3)c2c1C(=O)NC1CCCCC1
InChIInChI=1S/C26H38N2O3/c1-18-23(25(29)27-19-11-7-5-8-12-19)24-20(17-28-15-9-6-10-16-28)21(31-26(2,3)4)13-14-22(24)30-18/h13-14,19H,5-12,15-17H2,1-4H3,(H,27,29)
InChIKeyWLQISXHJUATNJW-UHFFFAOYSA-N
MW426.60 g/mol
LogP5.97
Rot. Bonds5

About N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide

N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide (PubChem CID 139314089) has the molecular formula C26H38N2O3 and a molecular weight of 426.60 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
PubChem CID139314089
Molecular FormulaC26H38N2O3
Molecular Weight426.60 g/mol
Exact Mass426.29
IUPAC NameN-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OC(C)(C)C)c(CN3CCCCC3)c2c1C(=O)NC1CCCCC1
InChIInChI=1S/C26H38N2O3/c1-18-23(25(29)27-19-11-7-5-8-12-19)24-20(17-28-15-9-6-10-16-28)21(31-26(2,3)4)13-14-22(24)30-18/h13-14,19H,5-12,15-17H2,1-4H3,(H,27,29)
InChIKeyWLQISXHJUATNJW-UHFFFAOYSA-N
XLogP5.97
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

4-(azepan-1-ylmethyl)-N-cyclohexyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 7540289
N-cyclopentyl-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 7540208
N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 18593788
5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
CID 7539994
N-cyclopentyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 7540170
4-[[bis(prop-2-enyl)amino]methyl]-N-cyclopentyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 7540345
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073
methyl 5-hydroxy-2-methyl-4-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate
CID 16800660
N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1-benzofuran-3-carboxamide
CID 7540135
N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1-benzofuran-3-carboxamide
CID 7540132
5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide
CID 7540100
5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide
CID 175963546

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide (CID 139314089) is N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide is Cc1oc2ccc(OC(C)(C)C)c(CN3CCCCC3)c2c1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
The InChIKey is WLQISXHJUATNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O3/c1-18-23(25(29)27-19-11-7-5-8-12-19)24-20(17-28-15-9-6-10-16-28)21(31-26(2,3)4)13-14-22(24)30-18/h13-14,19H,5-12,15-17H2,1-4H3,(H,27,29).
What are the key properties of N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide has a molecular weight of 426.60 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-5-[(2-methylpropan-2-yl)oxy]-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 139314089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).