2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide

C22H28N4O5 — CID 91909962

About 2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide

2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide (PubChem CID 91909962) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
• PubChem CID: 91909962
• Molecular Formula: C22H28N4O5
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.21
• IUPAC Name: 2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)OCCO2)N1CCCCC1c1nc(CCOCC2CC2)no1
• InChI: InChI=1S/C22H28N4O5/c27-22(23-16-6-7-18-19(13-16)30-12-11-29-18)26-9-2-1-3-17(26)21-24-20(25-31-21)8-10-28-14-15-4-5-15/h6-7,13,15,17H,1-5,8-12,14H2,(H,23,27)
• InChIKey: NACYEFHNAMJDRH-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 98.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide?

The IUPAC name of 2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide (CID 91909962) is 2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide.

What is the SMILES notation for 2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide?

The canonical SMILES for 2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)N1CCCCC1c1nc(CCOCC2CC2)no1.

What is the InChIKey of 2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide?

The InChIKey is NACYEFHNAMJDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5/c27-22(23-16-6-7-18-19(13-16)30-12-11-29-18)26-9-2-1-3-17(26)21-24-20(25-31-21)8-10-28-14-15-4-5-15/h6-7,13,15,17H,1-5,8-12,14H2,(H,23,27).

What are the key properties of 2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide?

2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 91909962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).