2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide

C18H26N2O3 — CID 78886059

IUPAC2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)CN1CCCCC1=O
InChIInChI=1S/C18H26N2O3/c1-12-8-13-14(9-18(2,3)10-15(13)23-12)19-16(21)11-20-7-5-4-6-17(20)22/h8,14H,4-7,9-11H2,1-3H3,(H,19,21)
InChIKeyOJGAOBOZBNQHNO-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.73
Rot. Bonds3

About 2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide

2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide (PubChem CID 78886059) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
PubChem CID78886059
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)CN1CCCCC1=O
InChIInChI=1S/C18H26N2O3/c1-12-8-13-14(9-18(2,3)10-15(13)23-12)19-16(21)11-20-7-5-4-6-17(20)22/h8,14H,4-7,9-11H2,1-3H3,(H,19,21)
InChIKeyOJGAOBOZBNQHNO-UHFFFAOYSA-N
XLogP2.73
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The IUPAC name of 2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide (CID 78886059) is 2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)CN1CCCCC1=O.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The InChIKey is OJGAOBOZBNQHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-8-13-14(9-18(2,3)10-15(13)23-12)19-16(21)11-20-7-5-4-6-17(20)22/h8,14H,4-7,9-11H2,1-3H3,(H,19,21).
What are the key properties of 2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide is sourced from PubChem (CID 78886059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).