1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea

C23H39ClN4O2 — CID 171492454

IUPAC1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea
SMILESCCc1cc(Cl)c(OC)c(N2CCN(CC)CC2)c1.CNC(=O)NC1CCCCC1
InChIInChI=1S/C15H23ClN2O.C8H16N2O/c1-4-12-10-13(16)15(19-3)14(11-12)18-8-6-17(5-2)7-9-18;1-9-8(11)10-7-5-3-2-4-6-7/h10-11H,4-9H2,1-3H3;7H,2-6H2,1H3,(H2,9,10,11)
InChIKeyUOMBWPATRSYSBP-UHFFFAOYSA-N
MW439.04 g/mol
LogP4.30
Rot. Bonds5

About 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea

1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea (PubChem CID 171492454) has the molecular formula C23H39ClN4O2 and a molecular weight of 439.04 g/mol. Its IUPAC name is 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea.

Molecular Properties

Compound Name1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea
PubChem CID171492454
Molecular FormulaC23H39ClN4O2
Molecular Weight439.04 g/mol
Exact Mass438.28
IUPAC Name1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea
SMILESCCc1cc(Cl)c(OC)c(N2CCN(CC)CC2)c1.CNC(=O)NC1CCCCC1
InChIInChI=1S/C15H23ClN2O.C8H16N2O/c1-4-12-10-13(16)15(19-3)14(11-12)18-8-6-17(5-2)7-9-18;1-9-8(11)10-7-5-3-2-4-6-7/h10-11H,4-9H2,1-3H3;7H,2-6H2,1H3,(H2,9,10,11)
InChIKeyUOMBWPATRSYSBP-UHFFFAOYSA-N
XLogP4.30
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.04
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine
CID 155552695
1-(2-chloro-4-methylphenyl)-4-ethylpiperazine;2-cyano-N-cyclohexylacetamide
CID 143598704
tert-butyl N-cyclohexylcarbamate;1-(2-chloro-3-ethylphenyl)-4-ethylpiperazine
CID 171492412
1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 23652749
2-[(3S)-4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]isoindole-1,3-dione
CID 172697434
N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide
CID 165112161
N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide
CID 108530972
4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide
CID 113110644
1-(2,4-diethylphenyl)-4-ethylpiperazine;N-hex-1-en-4-yn-2-ylcyclohexanamine
CID 143598802
N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653840
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 71940469
6-amino-N-cyclohexylhexanamide;1-(2,3-dichlorophenyl)-4-ethylpiperazine;methane
CID 170584725

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea?
The IUPAC name of 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea (CID 171492454) is 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea.
What is the SMILES notation for 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea?
The canonical SMILES for 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea is CCc1cc(Cl)c(OC)c(N2CCN(CC)CC2)c1.CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea?
The InChIKey is UOMBWPATRSYSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O.C8H16N2O/c1-4-12-10-13(16)15(19-3)14(11-12)18-8-6-17(5-2)7-9-18;1-9-8(11)10-7-5-3-2-4-6-7/h10-11H,4-9H2,1-3H3;7H,2-6H2,1H3,(H2,9,10,11).
What are the key properties of 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea?
1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea has a molecular weight of 439.04 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea is sourced from PubChem (CID 171492454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).