N-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide

C23H30F3N3OS — CID 58817663

IUPACN-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide
SMILESO=C(CCCN1CCN(c2csc3cc(C(F)(F)F)ccc23)CC1)NC1CCCCC1
InChIInChI=1S/C23H30F3N3OS/c24-23(25,26)17-8-9-19-20(16-31-21(19)15-17)29-13-11-28(12-14-29)10-4-7-22(30)27-18-5-2-1-3-6-18/h8-9,15-16,18H,1-7,10-14H2,(H,27,30)
InChIKeyFGXXXPZLBZJPOZ-UHFFFAOYSA-N
MW453.57 g/mol
LogP5.27
Rot. Bonds6

About N-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide

N-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide (PubChem CID 58817663) has the molecular formula C23H30F3N3OS and a molecular weight of 453.57 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide
PubChem CID58817663
Molecular FormulaC23H30F3N3OS
Molecular Weight453.57 g/mol
Exact Mass453.21
IUPAC NameN-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide
SMILESO=C(CCCN1CCN(c2csc3cc(C(F)(F)F)ccc23)CC1)NC1CCCCC1
InChIInChI=1S/C23H30F3N3OS/c24-23(25,26)17-8-9-19-20(16-31-21(19)15-17)29-13-11-28(12-14-29)10-4-7-22(30)27-18-5-2-1-3-6-18/h8-9,15-16,18H,1-7,10-14H2,(H,27,30)
InChIKeyFGXXXPZLBZJPOZ-UHFFFAOYSA-N
XLogP5.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide?
The IUPAC name of N-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide (CID 58817663) is N-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide.
What is the SMILES notation for N-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide?
The canonical SMILES for N-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide is O=C(CCCN1CCN(c2csc3cc(C(F)(F)F)ccc23)CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide?
The InChIKey is FGXXXPZLBZJPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N3OS/c24-23(25,26)17-8-9-19-20(16-31-21(19)15-17)29-13-11-28(12-14-29)10-4-7-22(30)27-18-5-2-1-3-6-18/h8-9,15-16,18H,1-7,10-14H2,(H,27,30).
What are the key properties of N-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide?
N-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide has a molecular weight of 453.57 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]butanamide is sourced from PubChem (CID 58817663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).