6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide

C19H24F3N3OS — CID 23136822

IUPAC6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide
SMILESNC(=O)CCCCCN1CCN(c2csc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C19H24F3N3OS/c20-19(21,22)14-5-6-15-16(13-27-17(15)12-14)25-10-8-24(9-11-25)7-3-1-2-4-18(23)26/h5-6,12-13H,1-4,7-11H2,(H2,23,26)
InChIKeyRXQVGNVEHKZJLT-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.09
Rot. Bonds7

About 6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide

6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide (PubChem CID 23136822) has the molecular formula C19H24F3N3OS and a molecular weight of 399.48 g/mol. Its IUPAC name is 6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide.

Molecular Properties

Compound Name6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide
PubChem CID23136822
Molecular FormulaC19H24F3N3OS
Molecular Weight399.48 g/mol
Exact Mass399.16
IUPAC Name6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide
SMILESNC(=O)CCCCCN1CCN(c2csc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C19H24F3N3OS/c20-19(21,22)14-5-6-15-16(13-27-17(15)12-14)25-10-8-24(9-11-25)7-3-1-2-4-18(23)26/h5-6,12-13H,1-4,7-11H2,(H2,23,26)
InChIKeyRXQVGNVEHKZJLT-UHFFFAOYSA-N
XLogP4.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide
CID 58817663
N-(3-methylcyclohexyl)-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide
CID 58817763
(2Z)-4-methylpenta-2,4-dienoic acid;4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanenitrile
CID 142164267
[(1R,2R)-2-[[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]methyl]cyclopropyl]methanamine
CID 68996835
4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)butan-1-one
CID 58817755
4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-N-heptan-4-yl-N-propylbutanamide
CID 71057338
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
1-[4-[4-(6-fluoro-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-3-(4-fluorophenyl)urea
CID 59121822
1-(2,5-difluorophenyl)-3-[4-[4-(6-fluoro-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]urea
CID 59121836
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
1-(3,5-dichlorophenyl)-3-[4-[4-(6-fluoro-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]urea
CID 59121817
N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)-1,4-diazepan-1-yl]butyl]-3-phenylprop-2-enamide
CID 68996894

Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide?
The IUPAC name of 6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide (CID 23136822) is 6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide.
What is the SMILES notation for 6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide?
The canonical SMILES for 6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide is NC(=O)CCCCCN1CCN(c2csc3cc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of 6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide?
The InChIKey is RXQVGNVEHKZJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3OS/c20-19(21,22)14-5-6-15-16(13-27-17(15)12-14)25-10-8-24(9-11-25)7-3-1-2-4-18(23)26/h5-6,12-13H,1-4,7-11H2,(H2,23,26).
What are the key properties of 6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide?
6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide has a molecular weight of 399.48 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]hexanamide is sourced from PubChem (CID 23136822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).