N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide

C26H37N5O4 — CID 123145547

About N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide

N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide (PubChem CID 123145547) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide
• PubChem CID: 123145547
• Molecular Formula: C26H37N5O4
• Molecular Weight: 483.61 g/mol
• Exact Mass: 483.28
• IUPAC Name: N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide
• SMILES: CC(C)c1noc(N2CCC(COc3ccc(C4=CCC(C(=O)NCCCO)CC4)nc3)CC2)n1
• InChI: InChI=1S/C26H37N5O4/c1-18(2)24-29-26(35-30-24)31-13-10-19(11-14-31)17-34-22-8-9-23(28-16-22)20-4-6-21(7-5-20)25(33)27-12-3-15-32/h4,8-9,16,18-19,21,32H,3,5-7,10-15,17H2,1-2H3,(H,27,33)
• InChIKey: WZBRVPNDMKNDIY-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 113.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.61
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide?

The IUPAC name of N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide (CID 123145547) is N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide.

What is the SMILES notation for N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide?

The canonical SMILES for N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide is CC(C)c1noc(N2CCC(COc3ccc(C4=CCC(C(=O)NCCCO)CC4)nc3)CC2)n1.

What is the InChIKey of N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide?

The InChIKey is WZBRVPNDMKNDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-18(2)24-29-26(35-30-24)31-13-10-19(11-14-31)17-34-22-8-9-23(28-16-22)20-4-6-21(7-5-20)25(33)27-12-3-15-32/h4,8-9,16,18-19,21,32H,3,5-7,10-15,17H2,1-2H3,(H,27,33).

What are the key properties of N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide?

N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 483.61 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 123145547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).