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

C23H34N4O — CID 142781315

IUPAC2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCc1cc(C)cc(N2CCN(CCC3CCC(C(C#N)C(N)=O)CC3)CC2)c1
InChIInChI=1S/C23H34N4O/c1-17-13-18(2)15-21(14-17)27-11-9-26(10-12-27)8-7-19-3-5-20(6-4-19)22(16-24)23(25)28/h13-15,19-20,22H,3-12H2,1-2H3,(H2,25,28)
InChIKeySXJZHAHRPVGMIV-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.25
Rot. Bonds6

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

2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide (PubChem CID 142781315) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
PubChem CID142781315
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCc1cc(C)cc(N2CCN(CCC3CCC(C(C#N)C(N)=O)CC3)CC2)c1
InChIInChI=1S/C23H34N4O/c1-17-13-18(2)15-21(14-17)27-11-9-26(10-12-27)8-7-19-3-5-20(6-4-19)22(16-24)23(25)28/h13-15,19-20,22H,3-12H2,1-2H3,(H2,25,28)
InChIKeySXJZHAHRPVGMIV-UHFFFAOYSA-N
XLogP3.25
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-methoxybutanamide
CID 91108973
[3-amino-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-3-oxopropyl] acetate
CID 174693978
2-[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanediamide
CID 91195120
2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide
CID 90752965
2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 90939048
2-[4-[2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 90943462
2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 172851850
2-methoxy-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 142781291
4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 87585240
2-[4-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide
CID 90900812

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide (CID 142781315) is 2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide is Cc1cc(C)cc(N2CCN(CCC3CCC(C(C#N)C(N)=O)CC3)CC2)c1.
What is the InChIKey of 2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is SXJZHAHRPVGMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-17-13-18(2)15-21(14-17)27-11-9-26(10-12-27)8-7-19-3-5-20(6-4-19)22(16-24)23(25)28/h13-15,19-20,22H,3-12H2,1-2H3,(H2,25,28).
What are the key properties of 2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide?
2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 382.55 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-[4-[2-[4-(3,5-dimethylphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 142781315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).