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

C23H33ClF3N3O2 — CID 90323221

IUPAC2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride
SMILESCCC(=O)C(=O)NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1.Cl
InChIInChI=1S/C23H32F3N3O2.ClH/c1-2-21(30)22(31)27-19-8-6-17(7-9-19)10-11-28-12-14-29(15-13-28)20-5-3-4-18(16-20)23(24,25)26;/h3-5,16-17,19H,2,6-15H2,1H3,(H,27,31);1H
InChIKeyNZRADUXCRCXVNV-UHFFFAOYSA-N
MW475.98 g/mol
LogP4.29
Rot. Bonds7

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

2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride (PubChem CID 90323221) has the molecular formula C23H33ClF3N3O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is 2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride
PubChem CID90323221
Molecular FormulaC23H33ClF3N3O2
Molecular Weight475.98 g/mol
Exact Mass475.22
IUPAC Name2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride
SMILESCCC(=O)C(=O)NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1.Cl
InChIInChI=1S/C23H32F3N3O2.ClH/c1-2-21(30)22(31)27-19-8-6-17(7-9-19)10-11-28-12-14-29(15-13-28)20-5-3-4-18(16-20)23(24,25)26;/h3-5,16-17,19H,2,6-15H2,1H3,(H,27,31);1H
InChIKeyNZRADUXCRCXVNV-UHFFFAOYSA-N
XLogP4.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
CID 161309199
2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 24781656
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-ethoxy-1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]ethanone
CID 24780925
2-methoxy-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 142781291
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
3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 174589477
4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide
CID 70956348
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclopropanecarboxamide
CID 51114169
1-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;2,3-dihydroxybutanedioic acid
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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride?
The IUPAC name of 2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride (CID 90323221) is 2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride.
What is the SMILES notation for 2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride?
The canonical SMILES for 2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride is CCC(=O)C(=O)NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1.Cl.
What is the InChIKey of 2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride?
The InChIKey is NZRADUXCRCXVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F3N3O2.ClH/c1-2-21(30)22(31)27-19-8-6-17(7-9-19)10-11-28-12-14-29(15-13-28)20-5-3-4-18(16-20)23(24,25)26;/h3-5,16-17,19H,2,6-15H2,1H3,(H,27,31);1H.
What are the key properties of 2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride?
2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride has a molecular weight of 475.98 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride is sourced from PubChem (CID 90323221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).