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

C23H32N2O3 — CID 18593788

IUPACN-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCCC1CCCCN1Cc1c(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)
InChIKeyLUOAUFONAUWTNQ-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.88
Rot. Bonds5

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

N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 18593788) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID18593788
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCCC1CCCCN1Cc1c(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)
InChIKeyLUOAUFONAUWTNQ-UHFFFAOYSA-N
XLogP4.88
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide (CID 18593788) is N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide is CCC1CCCCN1Cc1c(O)ccc2oc(C)c(C(=O)NC3CCCC3)c12.
What is the InChIKey of N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is LUOAUFONAUWTNQ-UHFFFAOYSA-N. 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).
What are the key properties of N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 18593788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).