N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide

C27H33N3O4 — CID 139269152

About N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide (PubChem CID 139269152) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide
• PubChem CID: 139269152
• Molecular Formula: C27H33N3O4
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.25
• IUPAC Name: N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide
• SMILES: C=C(C)C1(C)Cc2cc(C(=O)NCC3C(=O)NC(C)CC3C)cc(-c3ccc(OC)nc3)c2O1
• InChI: InChI=1S/C27H33N3O4/c1-15(2)27(5)12-20-10-19(25(31)29-14-22-16(3)9-17(4)30-26(22)32)11-21(24(20)34-27)18-7-8-23(33-6)28-13-18/h7-8,10-11,13,16-17,22H,1,9,12,14H2,2-6H3,(H,29,31)(H,30,32)
• InChIKey: PRHBNJZEGDNJSR-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 89.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide (CID 139269152) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide is C=C(C)C1(C)Cc2cc(C(=O)NCC3C(=O)NC(C)CC3C)cc(-c3ccc(OC)nc3)c2O1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide?

The InChIKey is PRHBNJZEGDNJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-15(2)27(5)12-20-10-19(25(31)29-14-22-16(3)9-17(4)30-26(22)32)11-21(24(20)34-27)18-7-8-23(33-6)28-13-18/h7-8,10-11,13,16-17,22H,1,9,12,14H2,2-6H3,(H,29,31)(H,30,32).

What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide?

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 139269152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).