1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone

C14H15F3N2O2S — CID 87353169

IUPAC1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H15F3N2O2S/c15-14(16,17)12(20)10-3-4-11(22-10)13(21)19-7-5-18(6-8-19)9-1-2-9/h3-4,9H,1-2,5-8H2
InChIKeyRSHFJOLSJDTVIC-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.41
Rot. Bonds3

About 1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone

1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone (PubChem CID 87353169) has the molecular formula C14H15F3N2O2S and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone
PubChem CID87353169
Molecular FormulaC14H15F3N2O2S
Molecular Weight332.35 g/mol
Exact Mass332.08
IUPAC Name1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H15F3N2O2S/c15-14(16,17)12(20)10-3-4-11(22-10)13(21)19-7-5-18(6-8-19)9-1-2-9/h3-4,9H,1-2,5-8H2
InChIKeyRSHFJOLSJDTVIC-UHFFFAOYSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-1-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 67315412
2,2,2-trifluoro-1-[5-(2-methylpiperidine-1-carbonyl)thiophen-2-yl]ethanone
CID 91232807
2,2,2-trifluoro-1-[5-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 69184024
2,2,2-trifluoro-1-[5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 87353086
[1-(2-methylphenyl)-4-[5-(2,2,2-trifluoroacetyl)thiophene-2-carbonyl]piperazin-1-ium-1-yl] 2,2,2-trifluoroacetate
CID 87353235
1-[5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroacetic acid
CID 171932303
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone
CID 171928316
2,2,2-trifluoro-1-[5-(1,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium-7-carbonyl)thiophen-2-yl]ethanone
CID 121300140
1-[5-[(2R)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone
CID 26352140
1-[5-[(2S)-2-(4-cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]thiophen-2-yl]ethanone
CID 26352136
5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 43414439
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 57442730

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone (CID 87353169) is 1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone is O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCN(C2CC2)CC1.
What is the InChIKey of 1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone?
The InChIKey is RSHFJOLSJDTVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2S/c15-14(16,17)12(20)10-3-4-11(22-10)13(21)19-7-5-18(6-8-19)9-1-2-9/h3-4,9H,1-2,5-8H2.
What are the key properties of 1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone?
1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone has a molecular weight of 332.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 87353169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).