1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea

C23H34Cl2N4O — CID 156704182

IUPAC1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea
SMILESCCNC(=O)NC12CCC(CCN3CCN(c4cccc(Cl)c4Cl)CC3)(CC1)CC2
InChIInChI=1S/C23H34Cl2N4O/c1-2-26-21(30)27-23-9-6-22(7-10-23,8-11-23)12-13-28-14-16-29(17-15-28)19-5-3-4-18(24)20(19)25/h3-5H,2,6-17H2,1H3,(H2,26,27,30)
InChIKeyQQTHQHJRLOKJFX-UHFFFAOYSA-N
MW453.46 g/mol
LogP4.92
Rot. Bonds6

About 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea

1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea (PubChem CID 156704182) has the molecular formula C23H34Cl2N4O and a molecular weight of 453.46 g/mol. Its IUPAC name is 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea
PubChem CID156704182
Molecular FormulaC23H34Cl2N4O
Molecular Weight453.46 g/mol
Exact Mass452.21
IUPAC Name1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea
SMILESCCNC(=O)NC12CCC(CCN3CCN(c4cccc(Cl)c4Cl)CC3)(CC1)CC2
InChIInChI=1S/C23H34Cl2N4O/c1-2-26-21(30)27-23-9-6-22(7-10-23,8-11-23)12-13-28-14-16-29(17-15-28)19-5-3-4-18(24)20(19)25/h3-5H,2,6-17H2,1H3,(H2,26,27,30)
InChIKeyQQTHQHJRLOKJFX-UHFFFAOYSA-N
XLogP4.92
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea
CID 156704203
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide
CID 156704363
N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methylpropanamide;hydrochloride
CID 162319855
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 58358858
methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 113080518
3-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1-ethyl-1-methylurea
CID 154663105
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methyl-1-phenyl-2-propylimidazole-4-carboxamide;dihydrochloride
CID 54576140
1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
CID 141198642
4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 142773095

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea?
The IUPAC name of 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea (CID 156704182) is 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea.
What is the SMILES notation for 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea?
The canonical SMILES for 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea is CCNC(=O)NC12CCC(CCN3CCN(c4cccc(Cl)c4Cl)CC3)(CC1)CC2.
What is the InChIKey of 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea?
The InChIKey is QQTHQHJRLOKJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34Cl2N4O/c1-2-26-21(30)27-23-9-6-22(7-10-23,8-11-23)12-13-28-14-16-29(17-15-28)19-5-3-4-18(24)20(19)25/h3-5H,2,6-17H2,1H3,(H2,26,27,30).
What are the key properties of 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea?
1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea has a molecular weight of 453.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea is sourced from PubChem (CID 156704182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).