N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide

C20H24F3N3O2S — CID 139080265

IUPACN-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2OC(F)(F)F)CC1)c1cccs1
InChIInChI=1S/C20H24F3N3O2S/c21-20(22,23)28-17-7-2-1-6-16(17)26-13-11-25(12-14-26)10-4-3-9-24-19(27)18-8-5-15-29-18/h1-2,5-8,15H,3-4,9-14H2,(H,24,27)
InChIKeyZOUWKCBRIZEUJN-UHFFFAOYSA-N
MW427.49 g/mol
LogP3.98
Rot. Bonds8

About N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide

N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide (PubChem CID 139080265) has the molecular formula C20H24F3N3O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide
PubChem CID139080265
Molecular FormulaC20H24F3N3O2S
Molecular Weight427.49 g/mol
Exact Mass427.15
IUPAC NameN-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2OC(F)(F)F)CC1)c1cccs1
InChIInChI=1S/C20H24F3N3O2S/c21-20(22,23)28-17-7-2-1-6-16(17)26-13-11-25(12-14-26)10-4-3-9-24-19(27)18-8-5-15-29-18/h1-2,5-8,15H,3-4,9-14H2,(H,24,27)
InChIKeyZOUWKCBRIZEUJN-UHFFFAOYSA-N
XLogP3.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10248783
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 42224892
N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 71293871
3-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10364070
N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 44532094
2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 11027407
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide
CID 139793526
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 163493568
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 42268855

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide (CID 139080265) is N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide is O=C(NCCCCN1CCN(c2ccccc2OC(F)(F)F)CC1)c1cccs1.
What is the InChIKey of N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide?
The InChIKey is ZOUWKCBRIZEUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2S/c21-20(22,23)28-17-7-2-1-6-16(17)26-13-11-25(12-14-26)10-4-3-9-24-19(27)18-8-5-15-29-18/h1-2,5-8,15H,3-4,9-14H2,(H,24,27).
What are the key properties of N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide?
N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide is sourced from PubChem (CID 139080265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).