ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

C23H29NO4 — CID 42392106

About ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate (PubChem CID 42392106) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
• PubChem CID: 42392106
• Molecular Formula: C23H29NO4
• Molecular Weight: 383.49 g/mol
• Exact Mass: 383.21
• IUPAC Name: ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
• SMILES: CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(Cc2ccc(CO)o2)C1
• InChI: InChI=1S/C23H29NO4/c1-2-27-22(26)23(13-6-10-19-8-4-3-5-9-19)14-7-15-24(18-23)16-20-11-12-21(17-25)28-20/h3-6,8-12,25H,2,7,13-18H2,1H3/b10-6+/t23-/m0/s1
• InChIKey: BZCYDEZZYZCONZ-LNLBBOMNSA-N
• XLogP: 4.02
• TPSA: 62.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.49
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate?

The IUPAC name of ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate (CID 42392106) is ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate.

What is the SMILES notation for ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate?

The canonical SMILES for ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate is CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(Cc2ccc(CO)o2)C1.

What is the InChIKey of ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate?

The InChIKey is BZCYDEZZYZCONZ-LNLBBOMNSA-N. The full InChI is InChI=1S/C23H29NO4/c1-2-27-22(26)23(13-6-10-19-8-4-3-5-9-19)14-7-15-24(18-23)16-20-11-12-21(17-25)28-20/h3-6,8-12,25H,2,7,13-18H2,1H3/b10-6+/t23-/m0/s1.

What are the key properties of ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate?

ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate is sourced from PubChem (CID 42392106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).