2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

C15H16F3N3OS — CID 164637055

IUPAC2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccs1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)13-5-7-21(19-13)11-3-1-6-20(10-11)14(22)9-12-4-2-8-23-12/h2,4-5,7-8,11H,1,3,6,9-10H2/t11-/m0/s1
InChIKeyXSVDARXTLRFTPD-NSHDSACASA-N
MW343.37 g/mol
LogP3.37
Rot. Bonds3

About 2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 164637055) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID164637055
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccs1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)13-5-7-21(19-13)11-3-1-6-20(10-11)14(22)9-12-4-2-8-23-12/h2,4-5,7-8,11H,1,3,6,9-10H2/t11-/m0/s1
InChIKeyXSVDARXTLRFTPD-NSHDSACASA-N
XLogP3.37
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

US9776991, Example 13
CID 139208211
Thiophen-2-yl-[3-(trifluoromethyl)pyrazol-1-yl]methanone
CID 2809203
(4,5-dimethylthiophen-2-yl){4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}methanone
CID 19585599
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-pyrazol-1-ylpropanamide
CID 45811751
N-(1-pyrazol-1-ylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 45818981
1-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 53566949
1-[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 53618863
2-[2-(Pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carbonitrile
CID 53621101
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 53623143
1-[2-(Pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 56778849
1-[2-(Pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 56778852
5-[2-(Pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 56778939

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 164637055) is 2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is O=C(Cc1cccs1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is XSVDARXTLRFTPD-NSHDSACASA-N. The full InChI is InChI=1S/C15H16F3N3OS/c16-15(17,18)13-5-7-21(19-13)11-3-1-6-20(10-11)14(22)9-12-4-2-8-23-12/h2,4-5,7-8,11H,1,3,6,9-10H2/t11-/m0/s1.
What are the key properties of 2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 343.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 164637055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).