2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride

C23H35ClF3N3O2 — CID 161309199

IUPAC2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
SMILESCCOCC(=O)NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1.Cl
InChIInChI=1S/C23H34F3N3O2.ClH/c1-2-31-17-22(30)27-20-8-6-18(7-9-20)10-11-28-12-14-29(15-13-28)21-5-3-4-19(16-21)23(24,25)26;/h3-5,16,18,20H,2,6-15,17H2,1H3,(H,27,30);1H
InChIKeyDTPBQHGXQUQZGN-UHFFFAOYSA-N
MW478.00 g/mol
LogP4.35
Rot. Bonds8

About 2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride

2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride (PubChem CID 161309199) has the molecular formula C23H35ClF3N3O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
PubChem CID161309199
Molecular FormulaC23H35ClF3N3O2
Molecular Weight478.00 g/mol
Exact Mass477.24
IUPAC Name2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
SMILESCCOCC(=O)NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1.Cl
InChIInChI=1S/C23H34F3N3O2.ClH/c1-2-31-17-22(30)27-20-8-6-18(7-9-20)10-11-28-12-14-29(15-13-28)21-5-3-4-19(16-21)23(24,25)26;/h3-5,16,18,20H,2,6-15,17H2,1H3,(H,27,30);1H
InChIKeyDTPBQHGXQUQZGN-UHFFFAOYSA-N
XLogP4.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 54.35
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-1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]ethanone
CID 24780925
2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 24781656
N'-hydrazinylidene-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanediamide
CID 118486309
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]ethanone
CID 157343351
N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466202
2-methoxy-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 142781291
2-[(2-methylpropan-2-yl)oxy]-N-[3-[4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclohexyl]propyl]acetamide
CID 162564531
2-cyano-N-[4-[2-[4-(3-hydroxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
CID 118481083
3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 174589477
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexen-1-yl]propan-2-one
CID 90968924
1-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;2,3-dihydroxybutanedioic acid
CID 13035993

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride?
The IUPAC name of 2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride (CID 161309199) is 2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride.
What is the SMILES notation for 2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride?
The canonical SMILES for 2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride is CCOCC(=O)NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1.Cl.
What is the InChIKey of 2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride?
The InChIKey is DTPBQHGXQUQZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F3N3O2.ClH/c1-2-31-17-22(30)27-20-8-6-18(7-9-20)10-11-28-12-14-29(15-13-28)21-5-3-4-19(16-21)23(24,25)26;/h3-5,16,18,20H,2,6-15,17H2,1H3,(H,27,30);1H.
What are the key properties of 2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride?
2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride has a molecular weight of 478.00 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 161309199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).