4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid

C29H40N2O4 — CID 69148015

About 4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid

4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid (PubChem CID 69148015) has the molecular formula C29H40N2O4 and a molecular weight of 480.65 g/mol. Its IUPAC name is 4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid.

Molecular Properties

• Compound Name: 4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid
• PubChem CID: 69148015
• Molecular Formula: C29H40N2O4
• Molecular Weight: 480.65 g/mol
• Exact Mass: 480.30
• IUPAC Name: 4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid
• SMILES: Cc1ccc(-c2ccoc2C(=O)NC2CCN(CCC3(CCCC(=O)O)CCCCC3)CC2)cc1
• InChI: InChI=1S/C29H40N2O4/c1-22-7-9-23(10-8-22)25-13-21-35-27(25)28(34)30-24-11-18-31(19-12-24)20-17-29(14-3-2-4-15-29)16-5-6-26(32)33/h7-10,13,21,24H,2-6,11-12,14-20H2,1H3,(H,30,34)(H,32,33)
• InChIKey: BPDSQOICQUTHFP-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 82.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.65
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid?

The IUPAC name of 4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid (CID 69148015) is 4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid.

What is the SMILES notation for 4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid?

The canonical SMILES for 4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid is Cc1ccc(-c2ccoc2C(=O)NC2CCN(CCC3(CCCC(=O)O)CCCCC3)CC2)cc1.

What is the InChIKey of 4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid?

The InChIKey is BPDSQOICQUTHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2O4/c1-22-7-9-23(10-8-22)25-13-21-35-27(25)28(34)30-24-11-18-31(19-12-24)20-17-29(14-3-2-4-15-29)16-5-6-26(32)33/h7-10,13,21,24H,2-6,11-12,14-20H2,1H3,(H,30,34)(H,32,33).

What are the key properties of 4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid?

4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid has a molecular weight of 480.65 g/mol, XLogP of 6.04, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-[4-[[3-(4-methylphenyl)furan-2-carbonyl]amino]piperidin-1-yl]ethyl]cyclohexyl]butanoic acid is sourced from PubChem (CID 69148015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).