2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide

C22H34ClN3O2 — CID 90939048

IUPAC2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
SMILESCCOC(C(N)=O)C1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C22H34ClN3O2/c1-2-28-21(22(24)27)18-5-3-17(4-6-18)11-12-25-13-15-26(16-14-25)20-9-7-19(23)8-10-20/h7-10,17-18,21H,2-6,11-16H2,1H3,(H2,24,27)
InChIKeyYHPBFNIIMGJHOY-UHFFFAOYSA-N
MW407.99 g/mol
LogP3.55
Rot. Bonds8

About 2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide

2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide (PubChem CID 90939048) has the molecular formula C22H34ClN3O2 and a molecular weight of 407.99 g/mol. Its IUPAC name is 2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide.

Molecular Properties

Compound Name2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
PubChem CID90939048
Molecular FormulaC22H34ClN3O2
Molecular Weight407.99 g/mol
Exact Mass407.23
IUPAC Name2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
SMILESCCOC(C(N)=O)C1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C22H34ClN3O2/c1-2-28-21(22(24)27)18-5-3-17(4-6-18)11-12-25-13-15-26(16-14-25)20-9-7-19(23)8-10-20/h7-10,17-18,21H,2-6,11-16H2,1H3,(H2,24,27)
InChIKeyYHPBFNIIMGJHOY-UHFFFAOYSA-N
XLogP3.55
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 91366186
4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68813544
2-[4-[2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 90943462
2-[4-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide
CID 90900812
2-methoxy-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 142781291
methyl 3-(4-chlorophenyl)-2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]propanoate
CID 19602703
2-[4-[2-[4-(3-chloro-5-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide
CID 91168267
2-cyano-2-[4-[2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 142781317
[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 3042350
2-[4-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(4-propan-2-yloxycyclohexyl)acetamide
CID 172764471
2-[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanediamide
CID 91195120
4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide
CID 91108973

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide?
The IUPAC name of 2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide (CID 90939048) is 2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide.
What is the SMILES notation for 2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide?
The canonical SMILES for 2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide is CCOC(C(N)=O)C1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide?
The InChIKey is YHPBFNIIMGJHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClN3O2/c1-2-28-21(22(24)27)18-5-3-17(4-6-18)11-12-25-13-15-26(16-14-25)20-9-7-19(23)8-10-20/h7-10,17-18,21H,2-6,11-16H2,1H3,(H2,24,27).
What are the key properties of 2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide?
2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide has a molecular weight of 407.99 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide is sourced from PubChem (CID 90939048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).