4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide

C25H32N2O2 — CID 132659686

About 4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide

4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide (PubChem CID 132659686) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide
• PubChem CID: 132659686
• Molecular Formula: C25H32N2O2
• Molecular Weight: 392.54 g/mol
• Exact Mass: 392.25
• IUPAC Name: 4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide
• SMILES: C=CCc1cc(C(=O)NC(C)c2ccc(N3CCCC(C)C3)cc2)ccc1OC
• InChI: InChI=1S/C25H32N2O2/c1-5-7-21-16-22(11-14-24(21)29-4)25(28)26-19(3)20-9-12-23(13-10-20)27-15-6-8-18(2)17-27/h5,9-14,16,18-19H,1,6-8,15,17H2,2-4H3,(H,26,28)
• InChIKey: WOHPAJTZOPBLTE-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.54
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide?

The IUPAC name of 4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide (CID 132659686) is 4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide.

What is the SMILES notation for 4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide?

The canonical SMILES for 4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide is C=CCc1cc(C(=O)NC(C)c2ccc(N3CCCC(C)C3)cc2)ccc1OC.

What is the InChIKey of 4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide?

The InChIKey is WOHPAJTZOPBLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-5-7-21-16-22(11-14-24(21)29-4)25(28)26-19(3)20-9-12-23(13-10-20)27-15-6-8-18(2)17-27/h5,9-14,16,18-19H,1,6-8,15,17H2,2-4H3,(H,26,28).

What are the key properties of 4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide?

4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide has a molecular weight of 392.54 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide is sourced from PubChem (CID 132659686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).