[5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone

C27H29Cl2N3O3 — CID 142747247

About [5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone

[5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 142747247) has the molecular formula C27H29Cl2N3O3 and a molecular weight of 514.45 g/mol. Its IUPAC name is [5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone
• PubChem CID: 142747247
• Molecular Formula: C27H29Cl2N3O3
• Molecular Weight: 514.45 g/mol
• Exact Mass: 513.16
• IUPAC Name: [5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone
• SMILES: O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
• InChI: InChI=1S/C27H29Cl2N3O3/c28-21-3-1-2-20(17-21)24-6-7-26(35-24)27(33)32-14-12-31(13-15-32)18-19-4-5-25(23(29)16-19)34-22-8-10-30-11-9-22/h1-7,16-17,22,30H,8-15,18H2
• InChIKey: INWYVCQTVDPJQL-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 57.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.45
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone?

The IUPAC name of [5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone (CID 142747247) is [5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone.

What is the SMILES notation for [5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone?

The canonical SMILES for [5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1.

What is the InChIKey of [5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone?

The InChIKey is INWYVCQTVDPJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2N3O3/c28-21-3-1-2-20(17-21)24-6-7-26(35-24)27(33)32-14-12-31(13-15-32)18-19-4-5-25(23(29)16-19)34-22-8-10-30-11-9-22/h1-7,16-17,22,30H,8-15,18H2.

What are the key properties of [5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone?

[5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 514.45 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(3-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 142747247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).