2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone

C29H30ClFN2O5 — CID 110081359

About 2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone

2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone (PubChem CID 110081359) has the molecular formula C29H30ClFN2O5 and a molecular weight of 541.02 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: 2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone
• PubChem CID: 110081359
• Molecular Formula: C29H30ClFN2O5
• Molecular Weight: 541.02 g/mol
• Exact Mass: 540.18
• IUPAC Name: 2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone
• SMILES: O=C(CC1(COc2cccc(Cl)c2)CN(C(=O)c2ccc(-c3ccccc3F)o2)CCO1)N1CCCCC1
• InChI: InChI=1S/C29H30ClFN2O5/c30-21-7-6-8-22(17-21)36-20-29(18-27(34)32-13-4-1-5-14-32)19-33(15-16-37-29)28(35)26-12-11-25(38-26)23-9-2-3-10-24(23)31/h2-3,6-12,17H,1,4-5,13-16,18-20H2
• InChIKey: ZILSUHBFCMPPGQ-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 72.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.02
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone?

The IUPAC name of 2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone (CID 110081359) is 2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone.

What is the SMILES notation for 2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone?

The canonical SMILES for 2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone is O=C(CC1(COc2cccc(Cl)c2)CN(C(=O)c2ccc(-c3ccccc3F)o2)CCO1)N1CCCCC1.

What is the InChIKey of 2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone?

The InChIKey is ZILSUHBFCMPPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClFN2O5/c30-21-7-6-8-22(17-21)36-20-29(18-27(34)32-13-4-1-5-14-32)19-33(15-16-37-29)28(35)26-12-11-25(38-26)23-9-2-3-10-24(23)31/h2-3,6-12,17H,1,4-5,13-16,18-20H2.

What are the key properties of 2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone?

2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 541.02 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3-chlorophenoxy)methyl]-4-[5-(2-fluorophenyl)furan-2-carbonyl]morpholin-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 110081359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).