N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

C22H26ClN3O3 — CID 119467754

About N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119467754) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
• PubChem CID: 119467754
• Molecular Formula: C22H26ClN3O3
• Molecular Weight: 415.92 g/mol
• Exact Mass: 415.17
• IUPAC Name: N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
• SMILES: Cl.NCC1CCCCN1C(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
• InChI: InChI=1S/C22H25N3O3.ClH/c23-14-18-9-3-4-11-25(18)22(27)16-7-5-8-17(12-16)24-21(26)20-13-15-6-1-2-10-19(15)28-20;/h1-2,5-8,10,12,18,20H,3-4,9,11,13-14,23H2,(H,24,26);1H
• InChIKey: VDZRGVNAOZDEHO-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 84.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.92
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?

The IUPAC name of N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (CID 119467754) is N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?

The canonical SMILES for N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is Cl.NCC1CCCCN1C(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1.

What is the InChIKey of N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?

The InChIKey is VDZRGVNAOZDEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.ClH/c23-14-18-9-3-4-11-25(18)22(27)16-7-5-8-17(12-16)24-21(26)20-13-15-6-1-2-10-19(15)28-20;/h1-2,5-8,10,12,18,20H,3-4,9,11,13-14,23H2,(H,24,26);1H.

What are the key properties of N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?

N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119467754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).