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

C21H32N4O2 — CID 120740667

IUPAC1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea
SMILESCCc1ccc(C2CNCCN2C(=O)CNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H32N4O2/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)
InChIKeyIJYYTHIWNHYDNK-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.35
Rot. Bonds5

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

1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea (PubChem CID 120740667) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea
PubChem CID120740667
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea
SMILESCCc1ccc(C2CNCCN2C(=O)CNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H32N4O2/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)
InChIKeyIJYYTHIWNHYDNK-UHFFFAOYSA-N
XLogP2.35
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.35
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;hydrochloride
CID 120740666
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
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride
CID 119473062
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-cyclohexyl-3-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]urea
CID 60541219
4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide
CID 120740417
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea (CID 120740667) is 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea is CCc1ccc(C2CNCCN2C(=O)CNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea?
The InChIKey is IJYYTHIWNHYDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/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).
What are the key properties of 1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea?
1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea has a molecular weight of 372.51 g/mol, XLogP of 2.35, 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 is sourced from PubChem (CID 120740667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).