N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

C21H29ClN4O3 — CID 56503664

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 56503664) has the molecular formula C21H29ClN4O3 and a molecular weight of 420.94 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

• Compound Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
• PubChem CID: 56503664
• Molecular Formula: C21H29ClN4O3
• Molecular Weight: 420.94 g/mol
• Exact Mass: 420.19
• IUPAC Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
• SMILES: CC(C)C(C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)N1CCCC1=O
• InChI: InChI=1S/C21H29ClN4O3/c1-15(2)20(26-8-4-7-18(26)27)21(29)23-14-19(28)25-11-9-24(10-12-25)17-6-3-5-16(22)13-17/h3,5-6,13,15,20H,4,7-12,14H2,1-2H3,(H,23,29)
• InChIKey: WKDMBDYCEVSPRG-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.94
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?

The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 56503664) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?

The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is CC(C)C(C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)N1CCCC1=O.

What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?

The InChIKey is WKDMBDYCEVSPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O3/c1-15(2)20(26-8-4-7-18(26)27)21(29)23-14-19(28)25-11-9-24(10-12-25)17-6-3-5-16(22)13-17/h3,5-6,13,15,20H,4,7-12,14H2,1-2H3,(H,23,29).

What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 420.94 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 56503664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).