3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide

C20H27Cl2N3O2 — CID 59764910

About 3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide

3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 59764910) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
• PubChem CID: 59764910
• Molecular Formula: C20H27Cl2N3O2
• Molecular Weight: 412.36 g/mol
• Exact Mass: 411.15
• IUPAC Name: 3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
• SMILES: CC1CC(C)CN(C2CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)C1
• InChI: InChI=1S/C20H27Cl2N3O2/c1-13-7-14(2)11-25(10-13)16-5-6-24(12-16)19(26)9-23-20(27)15-3-4-17(21)18(22)8-15/h3-4,8,13-14,16H,5-7,9-12H2,1-2H3,(H,23,27)
• InChIKey: JZQGTSZQIZTPNB-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.36
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?

The IUPAC name of 3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide (CID 59764910) is 3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide.

What is the SMILES notation for 3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?

The canonical SMILES for 3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide is CC1CC(C)CN(C2CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)C1.

What is the InChIKey of 3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?

The InChIKey is JZQGTSZQIZTPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Cl2N3O2/c1-13-7-14(2)11-25(10-13)16-5-6-24(12-16)19(26)9-23-20(27)15-3-4-17(21)18(22)8-15/h3-4,8,13-14,16H,5-7,9-12H2,1-2H3,(H,23,27).

What are the key properties of 3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?

3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 412.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[2-[3-(3,5-dimethylpiperidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 59764910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).