4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one

C18H20F3N3OS — CID 71523424

IUPAC4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one
SMILESO=C(CCCc1cccs1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H20F3N3OS/c19-18(20,21)14-6-7-16(22-13-14)23-8-10-24(11-9-23)17(25)5-1-3-15-4-2-12-26-15/h2,4,6-7,12-13H,1,3,5,8-11H2
InChIKeyXFVYGQPCULZOFB-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.83
Rot. Bonds5

About 4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one

4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one (PubChem CID 71523424) has the molecular formula C18H20F3N3OS and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one
PubChem CID71523424
Molecular FormulaC18H20F3N3OS
Molecular Weight383.44 g/mol
Exact Mass383.13
IUPAC Name4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one
SMILESO=C(CCCc1cccs1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H20F3N3OS/c19-18(20,21)14-6-7-16(22-13-14)23-8-10-24(11-9-23)17(25)5-1-3-15-4-2-12-26-15/h2,4,6-7,12-13H,1,3,5,8-11H2
InChIKeyXFVYGQPCULZOFB-UHFFFAOYSA-N
XLogP3.83
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one with MolForge

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Related Compounds

N-(6-{4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)thiophene-2-carboxamide
CID 2741895
1-Pyridin-2-yl-4-(4-thiophen-2-yl-cyclohex-3-enyl)-piperazine
CID 15079634
1-Pyridin-2-yl-4-[2-(4-thiophen-2-yl-cyclohex-3-enyl)-ethyl]-piperazine
CID 15079637
1-{[(4-Methylphenyl)thio]acetyl}-4-(2-pyridinyl)piperazine
CID 974706
1-(4-Pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 3504933
6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-6,7-dihydro-5H-1-benzothiophen-4-one
CID 11023903
5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one
CID 11121409
4-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-butyl]-thiomorpholine-3,5-dione
CID 13914143
1-[(3-Methyl-2-thienyl)carbonyl]-4-(2-pyridinyl)piperazine
CID 3283010
1-Pyridin-2-yl-4-(4-thiophen-2-yl-cyclohex-3-enylmethyl)-piperazine
CID 15079636
3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 653187
1-(4-(2-Pyridyl)piperazinyl)-2-(2-thienyl)ethan-1-one
CID 762642

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one (CID 71523424) is 4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one is O=C(CCCc1cccs1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one?
The InChIKey is XFVYGQPCULZOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3OS/c19-18(20,21)14-6-7-16(22-13-14)23-8-10-24(11-9-23)17(25)5-1-3-15-4-2-12-26-15/h2,4,6-7,12-13H,1,3,5,8-11H2.
What are the key properties of 4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one?
4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one has a molecular weight of 383.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 71523424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).