3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide

C25H26Cl2N4O2 — CID 59764905

About 3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide

3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 59764905) has the molecular formula C25H26Cl2N4O2 and a molecular weight of 485.42 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
• PubChem CID: 59764905
• Molecular Formula: C25H26Cl2N4O2
• Molecular Weight: 485.42 g/mol
• Exact Mass: 484.14
• IUPAC Name: 3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
• SMILES: N#Cc1ccc(C2CCN(C3CCN(C(=O)CNC(=O)c4ccc(Cl)c(Cl)c4)C3)CC2)cc1
• InChI: InChI=1S/C25H26Cl2N4O2/c26-22-6-5-20(13-23(22)27)25(33)29-15-24(32)31-12-9-21(16-31)30-10-7-19(8-11-30)18-3-1-17(14-28)2-4-18/h1-6,13,19,21H,7-12,15-16H2,(H,29,33)
• InChIKey: JDDIXCVYPZYUOG-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 76.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.42
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide?

The IUPAC name of 3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide (CID 59764905) is 3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide.

What is the SMILES notation for 3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide?

The canonical SMILES for 3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide is N#Cc1ccc(C2CCN(C3CCN(C(=O)CNC(=O)c4ccc(Cl)c(Cl)c4)C3)CC2)cc1.

What is the InChIKey of 3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide?

The InChIKey is JDDIXCVYPZYUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O2/c26-22-6-5-20(13-23(22)27)25(33)29-15-24(32)31-12-9-21(16-31)30-10-7-19(8-11-30)18-3-1-17(14-28)2-4-18/h1-6,13,19,21H,7-12,15-16H2,(H,29,33).

What are the key properties of 3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide?

3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 485.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 59764905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).