1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea

C23H34Cl2N4O — CID 156704203

About 1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea

1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea (PubChem CID 156704203) has the molecular formula C23H34Cl2N4O and a molecular weight of 453.46 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea
• PubChem CID: 156704203
• Molecular Formula: C23H34Cl2N4O
• Molecular Weight: 453.46 g/mol
• Exact Mass: 452.21
• IUPAC Name: 1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea
• SMILES: CC1(NC(=O)NC2CC2)CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1
• InChI: InChI=1S/C23H34Cl2N4O/c1-23(27-22(30)26-18-5-6-18)10-7-17(8-11-23)9-12-28-13-15-29(16-14-28)20-4-2-3-19(24)21(20)25/h2-4,17-18H,5-16H2,1H3,(H2,26,27,30)
• InChIKey: GVBABIHNJDATCX-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 47.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.46
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea?

The IUPAC name of 1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea (CID 156704203) is 1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea.

What is the SMILES notation for 1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea?

The canonical SMILES for 1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea is CC1(NC(=O)NC2CC2)CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1.

What is the InChIKey of 1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea?

The InChIKey is GVBABIHNJDATCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34Cl2N4O/c1-23(27-22(30)26-18-5-6-18)10-7-17(8-11-23)9-12-28-13-15-29(16-14-28)20-4-2-3-19(24)21(20)25/h2-4,17-18H,5-16H2,1H3,(H2,26,27,30).

What are the key properties of 1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea?

1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea has a molecular weight of 453.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea is sourced from PubChem (CID 156704203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).