1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride

C21H33ClN4O2 — CID 120740666

IUPAC1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)CNC(=O)NC2CCCCC2)cc1.Cl
InChIInChI=1S/C21H32N4O2.ClH/c1-2-16-8-10-17(11-9-16)19-14-22-12-13-25(19)20(26)15-23-21(27)24-18-6-4-3-5-7-18;/h8-11,18-19,22H,2-7,12-15H2,1H3,(H2,23,24,27);1H
InChIKeySGXAPZUDXNUGKH-UHFFFAOYSA-N
MW408.97 g/mol
LogP2.78
Rot. Bonds5

About 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride

1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride (PubChem CID 120740666) has the molecular formula C21H33ClN4O2 and a molecular weight of 408.97 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride
PubChem CID120740666
Molecular FormulaC21H33ClN4O2
Molecular Weight408.97 g/mol
Exact Mass408.23
IUPAC Name1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)CNC(=O)NC2CCCCC2)cc1.Cl
InChIInChI=1S/C21H32N4O2.ClH/c1-2-16-8-10-17(11-9-16)19-14-22-12-13-25(19)20(26)15-23-21(27)24-18-6-4-3-5-7-18;/h8-11,18-19,22H,2-7,12-15H2,1H3,(H2,23,24,27);1H
InChIKeySGXAPZUDXNUGKH-UHFFFAOYSA-N
XLogP2.78
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.97
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 120740667
1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 120802562
N-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120741447
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride
CID 119473062
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
2-cyclopentylsulfonyl-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120740036
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120741686

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride?
The IUPAC name of 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride (CID 120740666) is 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride?
The canonical SMILES for 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride is CCc1ccc(C2CNCCN2C(=O)CNC(=O)NC2CCCCC2)cc1.Cl.
What is the InChIKey of 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride?
The InChIKey is SGXAPZUDXNUGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2.ClH/c1-2-16-8-10-17(11-9-16)19-14-22-12-13-25(19)20(26)15-23-21(27)24-18-6-4-3-5-7-18;/h8-11,18-19,22H,2-7,12-15H2,1H3,(H2,23,24,27);1H.
What are the key properties of 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride?
1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride has a molecular weight of 408.97 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride is sourced from PubChem (CID 120740666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).