1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine

C28H41ClN4O3 — CID 143389069

IUPAC1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine
SMILESCC(C)Oc1ccccc1N1CCN(C2CCCCC2)CC1.CNC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C19H30N2O.C9H11ClN2O2/c1-16(2)22-19-11-7-6-10-18(19)21-14-12-20(13-15-21)17-8-4-3-5-9-17;1-11-9(13)12-7-5-6(10)3-4-8(7)14-2/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3;3-5H,1-2H3,(H2,11,12,13)
InChIKeyOETBCHFGTHLWOY-UHFFFAOYSA-N
MW517.11 g/mol
LogP6.03
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine

1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine (PubChem CID 143389069) has the molecular formula C28H41ClN4O3 and a molecular weight of 517.11 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine
PubChem CID143389069
Molecular FormulaC28H41ClN4O3
Molecular Weight517.11 g/mol
Exact Mass516.29
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine
SMILESCC(C)Oc1ccccc1N1CCN(C2CCCCC2)CC1.CNC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C19H30N2O.C9H11ClN2O2/c1-16(2)22-19-11-7-6-10-18(19)21-14-12-20(13-15-21)17-8-4-3-5-9-17;1-11-9(13)12-7-5-6(10)3-4-8(7)14-2/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3;3-5H,1-2H3,(H2,11,12,13)
InChIKeyOETBCHFGTHLWOY-UHFFFAOYSA-N
XLogP6.03
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.11
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea
CID 157186810
1-(2-chlorophenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-(3,4-difluorophenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea)
CID 160837591
1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea
CID 143075390
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
1-(3-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea
CID 71017736
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide
CID 7509630
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclohexylamino)propanamide
CID 40602408
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065335
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 4875488
(3R)-N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 25302330

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine (CID 143389069) is 1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine is CC(C)Oc1ccccc1N1CCN(C2CCCCC2)CC1.CNC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine?
The InChIKey is OETBCHFGTHLWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.C9H11ClN2O2/c1-16(2)22-19-11-7-6-10-18(19)21-14-12-20(13-15-21)17-8-4-3-5-9-17;1-11-9(13)12-7-5-6(10)3-4-8(7)14-2/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3;3-5H,1-2H3,(H2,11,12,13).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine?
1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine has a molecular weight of 517.11 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine is sourced from PubChem (CID 143389069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).