N-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C20H28N2O2 — CID 120557695

IUPACN-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)NC3CCNCC3C)c2cc1C(C)C
InChIInChI=1S/C20H28N2O2/c1-12(2)16-9-17-15(11-24-19(17)7-13(16)3)8-20(23)22-18-5-6-21-10-14(18)4/h7,9,11-12,14,18,21H,5-6,8,10H2,1-4H3,(H,22,23)
InChIKeyCWZVBNJNVATXHN-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.52
Rot. Bonds4

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

N-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 120557695) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
PubChem CID120557695
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)NC3CCNCC3C)c2cc1C(C)C
InChIInChI=1S/C20H28N2O2/c1-12(2)16-9-17-15(11-24-19(17)7-13(16)3)8-20(23)22-18-5-6-21-10-14(18)4/h7,9,11-12,14,18,21H,5-6,8,10H2,1-4H3,(H,22,23)
InChIKeyCWZVBNJNVATXHN-UHFFFAOYSA-N
XLogP3.52
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 120557695) is N-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)NC3CCNCC3C)c2cc1C(C)C.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The InChIKey is CWZVBNJNVATXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-12(2)16-9-17-15(11-24-19(17)7-13(16)3)8-20(23)22-18-5-6-21-10-14(18)4/h7,9,11-12,14,18,21H,5-6,8,10H2,1-4H3,(H,22,23).
What are the key properties of N-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
N-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 328.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 120557695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).