1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea

C20H31FN4O — CID 18578170

IUPAC1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea
SMILESCN1CCN(C(CNC(=O)NC2CCCCC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H31FN4O/c1-24-11-13-25(14-12-24)19(16-7-9-17(21)10-8-16)15-22-20(26)23-18-5-3-2-4-6-18/h7-10,18-19H,2-6,11-15H2,1H3,(H2,22,23,26)
InChIKeyAUNUFDMUTILBQK-UHFFFAOYSA-N
MW362.49 g/mol
LogP2.75
Rot. Bonds5

About 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea

1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea (PubChem CID 18578170) has the molecular formula C20H31FN4O and a molecular weight of 362.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea
PubChem CID18578170
Molecular FormulaC20H31FN4O
Molecular Weight362.49 g/mol
Exact Mass362.25
IUPAC Name1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea
SMILESCN1CCN(C(CNC(=O)NC2CCCCC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H31FN4O/c1-24-11-13-25(14-12-24)19(16-7-9-17(21)10-8-16)15-22-20(26)23-18-5-3-2-4-6-18/h7-10,18-19H,2-6,11-15H2,1H3,(H2,22,23,26)
InChIKeyAUNUFDMUTILBQK-UHFFFAOYSA-N
XLogP2.75
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea (CID 18578170) is 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea is CN1CCN(C(CNC(=O)NC2CCCCC2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea?
The InChIKey is AUNUFDMUTILBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O/c1-24-11-13-25(14-12-24)19(16-7-9-17(21)10-8-16)15-22-20(26)23-18-5-3-2-4-6-18/h7-10,18-19H,2-6,11-15H2,1H3,(H2,22,23,26).
What are the key properties of 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea?
1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea has a molecular weight of 362.49 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 18578170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).