(Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone

C27H33NO4 — CID 142857468

About (Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone

(Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 142857468) has the molecular formula C27H33NO4 and a molecular weight of 435.56 g/mol. Its IUPAC name is (Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: (Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
• PubChem CID: 142857468
• Molecular Formula: C27H33NO4
• Molecular Weight: 435.56 g/mol
• Exact Mass: 435.24
• IUPAC Name: (Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
• SMILES: C/C=C\C.C=C(CC)C1(c2ccccc2)Oc2ccc(C(=O)N3CCC(O)CC3)cc2O1
• InChI: InChI=1S/C23H25NO4.C4H8/c1-3-16(2)23(18-7-5-4-6-8-18)27-20-10-9-17(15-21(20)28-23)22(26)24-13-11-19(25)12-14-24;1-3-4-2/h4-10,15,19,25H,2-3,11-14H2,1H3;3-4H,1-2H3/b;4-3-
• InChIKey: SDNCKRMSYUTRRD-QGAMPUOQSA-N
• XLogP: 5.46
• TPSA: 59.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.56
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone?

The IUPAC name of (Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 142857468) is (Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone.

What is the SMILES notation for (Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone?

The canonical SMILES for (Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone is C/C=C\C.C=C(CC)C1(c2ccccc2)Oc2ccc(C(=O)N3CCC(O)CC3)cc2O1.

What is the InChIKey of (Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone?

The InChIKey is SDNCKRMSYUTRRD-QGAMPUOQSA-N. The full InChI is InChI=1S/C23H25NO4.C4H8/c1-3-16(2)23(18-7-5-4-6-8-18)27-20-10-9-17(15-21(20)28-23)22(26)24-13-11-19(25)12-14-24;1-3-4-2/h4-10,15,19,25H,2-3,11-14H2,1H3;3-4H,1-2H3/b;4-3-.

What are the key properties of (Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone?

(Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 435.56 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-but-2-ene;(2-but-1-en-2-yl-2-phenyl-1,3-benzodioxol-5-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 142857468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).