N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide

C23H33ClN4O2+2 — CID 8718999

About N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide (PubChem CID 8718999) has the molecular formula C23H33ClN4O2+2 and a molecular weight of 433.00 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
• PubChem CID: 8718999
• Molecular Formula: C23H33ClN4O2+2
• Molecular Weight: 433.00 g/mol
• Exact Mass: 432.23
• IUPAC Name: N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
• SMILES: O=C(C[NH+]1CC[NH+](CC(=O)N(C2=CCCCC2)C2CC2)CC1)Nc1ccccc1Cl
• InChI: InChI=1S/C23H31ClN4O2/c24-20-8-4-5-9-21(20)25-22(29)16-26-12-14-27(15-13-26)17-23(30)28(19-10-11-19)18-6-2-1-3-7-18/h4-6,8-9,19H,1-3,7,10-17H2,(H,25,29)/p+2
• InChIKey: HHHATXJABJXJAX-UHFFFAOYSA-P
• XLogP: 0.51
• TPSA: 58.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.00
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide?

The IUPAC name of N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide (CID 8718999) is N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide.

What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide?

The canonical SMILES for N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide is O=C(C[NH+]1CC[NH+](CC(=O)N(C2=CCCCC2)C2CC2)CC1)Nc1ccccc1Cl.

What is the InChIKey of N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide?

The InChIKey is HHHATXJABJXJAX-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H31ClN4O2/c24-20-8-4-5-9-21(20)25-22(29)16-26-12-14-27(15-13-26)17-23(30)28(19-10-11-19)18-6-2-1-3-7-18/h4-6,8-9,19H,1-3,7,10-17H2,(H,25,29)/p+2.

What are the key properties of N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide?

N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 433.00 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 8718999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).