1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide

C27H30N2O5 — CID 153328855

About 1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide

1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 153328855) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 153328855
• Molecular Formula: C27H30N2O5
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.22
• IUPAC Name: 1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide
• SMILES: O=C(NC[C@@H]1COc2ccc(OCc3ccccc3)cc2O1)C1CCN(Cc2ccco2)CC1
• InChI: InChI=1S/C27H30N2O5/c30-27(21-10-12-29(13-11-21)17-23-7-4-14-31-23)28-16-24-19-33-25-9-8-22(15-26(25)34-24)32-18-20-5-2-1-3-6-20/h1-9,14-15,21,24H,10-13,16-19H2,(H,28,30)/t24-/m1/s1
• InChIKey: WLIOBTWYKWPGMY-XMMPIXPASA-N
• XLogP: 4.03
• TPSA: 73.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of 1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide (CID 153328855) is 1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide is O=C(NC[C@@H]1COc2ccc(OCc3ccccc3)cc2O1)C1CCN(Cc2ccco2)CC1.

What is the InChIKey of 1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide?

The InChIKey is WLIOBTWYKWPGMY-XMMPIXPASA-N. The full InChI is InChI=1S/C27H30N2O5/c30-27(21-10-12-29(13-11-21)17-23-7-4-14-31-23)28-16-24-19-33-25-9-8-22(15-26(25)34-24)32-18-20-5-2-1-3-6-20/h1-9,14-15,21,24H,10-13,16-19H2,(H,28,30)/t24-/m1/s1.

What are the key properties of 1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide?

1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 153328855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).