5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide

C20H26N2O3 — CID 136541811

IUPAC5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)NC3CCN(C(=O)C(C)C)CC3)c2c1
InChIInChI=1S/C20H26N2O3/c1-4-14-5-6-18-16(11-14)17(12-25-18)19(23)21-15-7-9-22(10-8-15)20(24)13(2)3/h5-6,11-13,15H,4,7-10H2,1-3H3,(H,21,23)
InChIKeyMNTMUZSQTJWOIL-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.37
Rot. Bonds4

About 5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide

5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide (PubChem CID 136541811) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide
PubChem CID136541811
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)NC3CCN(C(=O)C(C)C)CC3)c2c1
InChIInChI=1S/C20H26N2O3/c1-4-14-5-6-18-16(11-14)17(12-25-18)19(23)21-15-7-9-22(10-8-15)20(24)13(2)3/h5-6,11-13,15H,4,7-10H2,1-3H3,(H,21,23)
InChIKeyMNTMUZSQTJWOIL-UHFFFAOYSA-N
XLogP3.37
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide
CID 125144254
5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide
CID 125144255
2-hydroxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 108551446
1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434832
2-benzyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542896
5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide
CID 126841948
(5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone
CID 136567414
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 61213391
4-(5-ethyl-1-benzofuran-3-carbonyl)-1-(2-methoxyethyl)piperazin-2-one
CID 136542040
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 81230031

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide (CID 136541811) is 5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide is CCc1ccc2occ(C(=O)NC3CCN(C(=O)C(C)C)CC3)c2c1.
What is the InChIKey of 5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide?
The InChIKey is MNTMUZSQTJWOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-14-5-6-18-16(11-14)17(12-25-18)19(23)21-15-7-9-22(10-8-15)20(24)13(2)3/h5-6,11-13,15H,4,7-10H2,1-3H3,(H,21,23).
What are the key properties of 5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide?
5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 136541811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).