2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone

C15H21F3N2OS — CID 154553551

IUPAC2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone
SMILESO=C(N1CCC(NCCCCc2cccs2)CC1)C(F)(F)F
InChIInChI=1S/C15H21F3N2OS/c16-15(17,18)14(21)20-9-6-12(7-10-20)19-8-2-1-4-13-5-3-11-22-13/h3,5,11-12,19H,1-2,4,6-10H2
InChIKeyMOIOEQBZMKKRDC-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.21
Rot. Bonds6

About 2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone (PubChem CID 154553551) has the molecular formula C15H21F3N2OS and a molecular weight of 334.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone
PubChem CID154553551
Molecular FormulaC15H21F3N2OS
Molecular Weight334.41 g/mol
Exact Mass334.13
IUPAC Name2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone
SMILESO=C(N1CCC(NCCCCc2cccs2)CC1)C(F)(F)F
InChIInChI=1S/C15H21F3N2OS/c16-15(17,18)14(21)20-9-6-12(7-10-20)19-8-2-1-4-13-5-3-11-22-13/h3,5,11-12,19H,1-2,4,6-10H2
InChIKeyMOIOEQBZMKKRDC-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one
CID 119622425
cyclopropyl-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434770
tert-butyl 4-[(2-thiophen-2-ylethylamino)methyl]piperidine-1-carboxylate
CID 103730080
tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
CID 43652164
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822079
1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111467106
4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 65023554
2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
(4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124855638
2,3,4-trifluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 108556797
1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113407448
1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
CID 110822094

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone (CID 154553551) is 2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone is O=C(N1CCC(NCCCCc2cccs2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone?
The InChIKey is MOIOEQBZMKKRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2OS/c16-15(17,18)14(21)20-9-6-12(7-10-20)19-8-2-1-4-13-5-3-11-22-13/h3,5,11-12,19H,1-2,4,6-10H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone has a molecular weight of 334.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 154553551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).