2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide

C24H33F3N4O — CID 24781656

IUPAC2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide
SMILESCC(C)(C#N)C(=O)NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C24H33F3N4O/c1-23(2,17-28)22(32)29-20-8-6-18(7-9-20)10-11-30-12-14-31(15-13-30)21-5-3-4-19(16-21)24(25,26)27/h3-5,16,18,20H,6-15H2,1-2H3,(H,29,32)
InChIKeyHJBXYTPCBPSRRD-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.44
Rot. Bonds6

About 2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide

2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide (PubChem CID 24781656) has the molecular formula C24H33F3N4O and a molecular weight of 450.55 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide
PubChem CID24781656
Molecular FormulaC24H33F3N4O
Molecular Weight450.55 g/mol
Exact Mass450.26
IUPAC Name2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide
SMILESCC(C)(C#N)C(=O)NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C24H33F3N4O/c1-23(2,17-28)22(32)29-20-8-6-18(7-9-20)10-11-30-12-14-31(15-13-30)21-5-3-4-19(16-21)24(25,26)27/h3-5,16,18,20H,6-15H2,1-2H3,(H,29,32)
InChIKeyHJBXYTPCBPSRRD-UHFFFAOYSA-N
XLogP4.44
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride
CID 90323221
2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
CID 161309199
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]ethanone
CID 157343351
N'-hydrazinylidene-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanediamide
CID 118486309
2-methoxy-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 142781291
2-cyano-N-[4-[2-[4-(3-hydroxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
CID 118481083
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexen-1-yl]propan-2-one
CID 90968924
N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466202
2-ethoxy-1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]ethanone
CID 24780925
2-[(2-methylpropan-2-yl)oxy]-N-[3-[4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclohexyl]propyl]acetamide
CID 162564531
1-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;2,3-dihydroxybutanedioic acid
CID 13035993
tert-butyl N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]carbamate
CID 68902335

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The IUPAC name of 2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide (CID 24781656) is 2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide is CC(C)(C#N)C(=O)NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of 2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The InChIKey is HJBXYTPCBPSRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F3N4O/c1-23(2,17-28)22(32)29-20-8-6-18(7-9-20)10-11-30-12-14-31(15-13-30)21-5-3-4-19(16-21)24(25,26)27/h3-5,16,18,20H,6-15H2,1-2H3,(H,29,32).
What are the key properties of 2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide?
2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide has a molecular weight of 450.55 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide is sourced from PubChem (CID 24781656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).