N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide

C18H24N2O2 — CID 18872342

IUPACN-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1ccc2occ(CC(=O)N(C)C3CCN(C)CC3)c2c1
InChIInChI=1S/C18H24N2O2/c1-13-4-5-17-16(10-13)14(12-22-17)11-18(21)20(3)15-6-8-19(2)9-7-15/h4-5,10,12,15H,6-9,11H2,1-3H3
InChIKeyWPUCMQGMNSGSIK-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.84
Rot. Bonds3

About N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide

N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 18872342) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID18872342
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1ccc2occ(CC(=O)N(C)C3CCN(C)CC3)c2c1
InChIInChI=1S/C18H24N2O2/c1-13-4-5-17-16(10-13)14(12-22-17)11-18(21)20(3)15-6-8-19(2)9-7-15/h4-5,10,12,15H,6-9,11H2,1-3H3
InChIKeyWPUCMQGMNSGSIK-UHFFFAOYSA-N
XLogP2.84
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide (CID 18872342) is N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide is Cc1ccc2occ(CC(=O)N(C)C3CCN(C)CC3)c2c1.
What is the InChIKey of N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is WPUCMQGMNSGSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-4-5-17-16(10-13)14(12-22-17)11-18(21)20(3)15-6-8-19(2)9-7-15/h4-5,10,12,15H,6-9,11H2,1-3H3.
What are the key properties of N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide?
N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 300.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 18872342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).