N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide

C19H25N3O3 — CID 119482356

About N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide (PubChem CID 119482356) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
• PubChem CID: 119482356
• Molecular Formula: C19H25N3O3
• Molecular Weight: 343.43 g/mol
• Exact Mass: 343.19
• IUPAC Name: N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
• SMILES: Cc1c(C(=O)N2CCCC(C(=O)NCCN)C2)oc2c(C)cccc12
• InChI: InChI=1S/C19H25N3O3/c1-12-5-3-7-15-13(2)17(25-16(12)15)19(24)22-10-4-6-14(11-22)18(23)21-9-8-20/h3,5,7,14H,4,6,8-11,20H2,1-2H3,(H,21,23)
• InChIKey: RRDXHZDROGMCBW-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 88.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide?

The IUPAC name of N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide (CID 119482356) is N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide.

What is the SMILES notation for N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide?

The canonical SMILES for N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide is Cc1c(C(=O)N2CCCC(C(=O)NCCN)C2)oc2c(C)cccc12.

What is the InChIKey of N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide?

The InChIKey is RRDXHZDROGMCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-5-3-7-15-13(2)17(25-16(12)15)19(24)22-10-4-6-14(11-22)18(23)21-9-8-20/h3,5,7,14H,4,6,8-11,20H2,1-2H3,(H,21,23).

What are the key properties of N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide?

N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-1-(3,7-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119482356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).