N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide

C19H20N4O3 — CID 128983960

IUPACN-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCN1C(=O)CC[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H]1c1cncn1C
InChIInChI=1S/C19H20N4O3/c1-22-11-20-10-14(22)18-13(7-8-17(24)23(18)2)21-19(25)16-9-12-5-3-4-6-15(12)26-16/h3-6,9-11,13,18H,7-8H2,1-2H3,(H,21,25)/t13-,18-/m1/s1
InChIKeyQWKABPMXDTYYKA-FZKQIMNGSA-N
MW352.39 g/mol
LogP2.26
Rot. Bonds3

About N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide

N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 128983960) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide
PubChem CID128983960
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCN1C(=O)CC[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H]1c1cncn1C
InChIInChI=1S/C19H20N4O3/c1-22-11-20-10-14(22)18-13(7-8-17(24)23(18)2)21-19(25)16-9-12-5-3-4-6-15(12)26-16/h3-6,9-11,13,18H,7-8H2,1-2H3,(H,21,25)/t13-,18-/m1/s1
InChIKeyQWKABPMXDTYYKA-FZKQIMNGSA-N
XLogP2.26
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide (CID 128983960) is N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide is CN1C(=O)CC[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H]1c1cncn1C.
What is the InChIKey of N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is QWKABPMXDTYYKA-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-22-11-20-10-14(22)18-13(7-8-17(24)23(18)2)21-19(25)16-9-12-5-3-4-6-15(12)26-16/h3-6,9-11,13,18H,7-8H2,1-2H3,(H,21,25)/t13-,18-/m1/s1.
What are the key properties of N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide?
N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-methyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 128983960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).