5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide

C32H39ClN2O3 — CID 44527686

About 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide

5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide (PubChem CID 44527686) has the molecular formula C32H39ClN2O3 and a molecular weight of 535.13 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide
• PubChem CID: 44527686
• Molecular Formula: C32H39ClN2O3
• Molecular Weight: 535.13 g/mol
• Exact Mass: 534.26
• IUPAC Name: 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide
• SMILES: COc1c(C2CCN(CCCCNC(=O)c3cc(-c4ccc(Cl)cc4)oc3C)CC2)ccc2c1CCCC2
• InChI: InChI=1S/C32H39ClN2O3/c1-22-29(21-30(38-22)25-9-12-26(33)13-10-25)32(36)34-17-5-6-18-35-19-15-24(16-20-35)28-14-11-23-7-3-4-8-27(23)31(28)37-2/h9-14,21,24H,3-8,15-20H2,1-2H3,(H,34,36)
• InChIKey: WWIJPWKNMKTAPC-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.13
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide (CID 44527686) is 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide is COc1c(C2CCN(CCCCNC(=O)c3cc(-c4ccc(Cl)cc4)oc3C)CC2)ccc2c1CCCC2.

What is the InChIKey of 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide?

The InChIKey is WWIJPWKNMKTAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39ClN2O3/c1-22-29(21-30(38-22)25-9-12-26(33)13-10-25)32(36)34-17-5-6-18-35-19-15-24(16-20-35)28-14-11-23-7-3-4-8-27(23)31(28)37-2/h9-14,21,24H,3-8,15-20H2,1-2H3,(H,34,36).

What are the key properties of 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide?

5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide has a molecular weight of 535.13 g/mol, XLogP of 7.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 44527686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).