1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride

C19H26ClN3O4 — CID 119461163

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119461163) has the molecular formula C19H26ClN3O4 and a molecular weight of 395.89 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
• PubChem CID: 119461163
• Molecular Formula: C19H26ClN3O4
• Molecular Weight: 395.89 g/mol
• Exact Mass: 395.16
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
• SMILES: Cl.O=C(NCC1CCCNC1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
• InChI: InChI=1S/C19H25N3O4.ClH/c23-18-8-14(19(24)21-11-13-2-1-5-20-10-13)12-22(18)15-3-4-16-17(9-15)26-7-6-25-16;/h3-4,9,13-14,20H,1-2,5-8,10-12H2,(H,21,24);1H
• InChIKey: IPHVBBDEGVMBSP-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.89
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119461163) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCC1CCCNC1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?

The InChIKey is IPHVBBDEGVMBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4.ClH/c23-18-8-14(19(24)21-11-13-2-1-5-20-10-13)12-22(18)15-3-4-16-17(9-15)26-7-6-25-16;/h3-4,9,13-14,20H,1-2,5-8,10-12H2,(H,21,24);1H.

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 395.89 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119461163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).