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

C27H29Cl2N3O3 — CID 142747238

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

[5-(2-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 142747238) has the molecular formula C27H29Cl2N3O3 and a molecular weight of 514.45 g/mol. Its IUPAC name is [5-(2-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(2-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone
• PubChem CID: 142747238
• Molecular Formula: C27H29Cl2N3O3
• Molecular Weight: 514.45 g/mol
• Exact Mass: 513.16
• IUPAC Name: [5-(2-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone
• SMILES: O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
• InChI: InChI=1S/C27H29Cl2N3O3/c28-22-4-2-1-3-21(22)24-7-8-26(35-24)27(33)32-15-13-31(14-16-32)18-19-5-6-25(23(29)17-19)34-20-9-11-30-12-10-20/h1-8,17,20,30H,9-16,18H2
• InChIKey: PAIVDRXUSLYHKL-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-(2-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone?

The IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone (CID 142747238) is [5-(2-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone.

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

The canonical SMILES for [5-(2-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1.

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

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

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

[5-(2-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-(2-chlorophenyl)furan-2-yl]-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 142747238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).