4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide

C22H23ClN4O3 — CID 112837954

About 4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide

4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide (PubChem CID 112837954) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide
• PubChem CID: 112837954
• Molecular Formula: C22H23ClN4O3
• Molecular Weight: 426.90 g/mol
• Exact Mass: 426.15
• IUPAC Name: 4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide
• SMILES: O=C(NCc1cc(Cl)c2c(c1)OCCO2)N1CCC(c2nc3ccccc3[nH]2)CC1
• InChI: InChI=1S/C22H23ClN4O3/c23-16-11-14(12-19-20(16)30-10-9-29-19)13-24-22(28)27-7-5-15(6-8-27)21-25-17-3-1-2-4-18(17)26-21/h1-4,11-12,15H,5-10,13H2,(H,24,28)(H,25,26)
• InChIKey: RJWXBWPMERORNU-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.90
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide?

The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide (CID 112837954) is 4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide.

What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide?

The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide is O=C(NCc1cc(Cl)c2c(c1)OCCO2)N1CCC(c2nc3ccccc3[nH]2)CC1.

What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide?

The InChIKey is RJWXBWPMERORNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c23-16-11-14(12-19-20(16)30-10-9-29-19)13-24-22(28)27-7-5-15(6-8-27)21-25-17-3-1-2-4-18(17)26-21/h1-4,11-12,15H,5-10,13H2,(H,24,28)(H,25,26).

What are the key properties of 4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide?

4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 112837954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).