2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C21H30N2O2 — CID 46954636

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCc1cc2occ(CC(=O)N(C)C3CCN(C(C)C)CC3)c2cc1C
InChIInChI=1S/C21H30N2O2/c1-14(2)23-8-6-18(7-9-23)22(5)21(24)12-17-13-25-20-11-16(4)15(3)10-19(17)20/h10-11,13-14,18H,6-9,12H2,1-5H3
InChIKeyNUSIJTXGZXIELN-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.92
Rot. Bonds4

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 46954636) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID46954636
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCc1cc2occ(CC(=O)N(C)C3CCN(C(C)C)CC3)c2cc1C
InChIInChI=1S/C21H30N2O2/c1-14(2)23-8-6-18(7-9-23)22(5)21(24)12-17-13-25-20-11-16(4)15(3)10-19(17)20/h10-11,13-14,18H,6-9,12H2,1-5H3
InChIKeyNUSIJTXGZXIELN-UHFFFAOYSA-N
XLogP3.92
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 46954636) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide is Cc1cc2occ(CC(=O)N(C)C3CCN(C(C)C)CC3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is NUSIJTXGZXIELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-14(2)23-8-6-18(7-9-23)22(5)21(24)12-17-13-25-20-11-16(4)15(3)10-19(17)20/h10-11,13-14,18H,6-9,12H2,1-5H3.
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 342.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 46954636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).