4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide

C25H41N3O2 — CID 91108973

IUPAC4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide
SMILESCOC(CCC(N)=O)C1CCC(CCN2CCN(c3cc(C)cc(C)c3)CC2)CC1
InChIInChI=1S/C25H41N3O2/c1-19-16-20(2)18-23(17-19)28-14-12-27(13-15-28)11-10-21-4-6-22(7-5-21)24(30-3)8-9-25(26)29/h16-18,21-22,24H,4-15H2,1-3H3,(H2,26,29)
InChIKeyMTXRLVNEFUVXCB-UHFFFAOYSA-N
MW415.62 g/mol
LogP3.90
Rot. Bonds9

About 4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide

4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide (PubChem CID 91108973) has the molecular formula C25H41N3O2 and a molecular weight of 415.62 g/mol. Its IUPAC name is 4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide.

Molecular Properties

Compound Name4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide
PubChem CID91108973
Molecular FormulaC25H41N3O2
Molecular Weight415.62 g/mol
Exact Mass415.32
IUPAC Name4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide
SMILESCOC(CCC(N)=O)C1CCC(CCN2CCN(c3cc(C)cc(C)c3)CC2)CC1
InChIInChI=1S/C25H41N3O2/c1-19-16-20(2)18-23(17-19)28-14-12-27(13-15-28)11-10-21-4-6-22(7-5-21)24(30-3)8-9-25(26)29/h16-18,21-22,24H,4-15H2,1-3H3,(H2,26,29)
InChIKeyMTXRLVNEFUVXCB-UHFFFAOYSA-N
XLogP3.90
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.62
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide
CID 91468660
2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 142781315
[3-amino-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxopropyl] acetate
CID 174693978
2-methoxy-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 142781291
2-[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanediamide
CID 91195120
2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 90939048
2-[4-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide
CID 90900812
2-[4-[2-[4-(3-chloro-5-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide
CID 91168267
4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 87585240
methyl 3-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981853
3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide
CID 68811711
2-[4-[2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 90943462

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide?
The IUPAC name of 4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide (CID 91108973) is 4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide.
What is the SMILES notation for 4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide?
The canonical SMILES for 4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide is COC(CCC(N)=O)C1CCC(CCN2CCN(c3cc(C)cc(C)c3)CC2)CC1.
What is the InChIKey of 4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide?
The InChIKey is MTXRLVNEFUVXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O2/c1-19-16-20(2)18-23(17-19)28-14-12-27(13-15-28)11-10-21-4-6-22(7-5-21)24(30-3)8-9-25(26)29/h16-18,21-22,24H,4-15H2,1-3H3,(H2,26,29).
What are the key properties of 4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide?
4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide has a molecular weight of 415.62 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide is sourced from PubChem (CID 91108973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).