(5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C19H22F3N3OS — CID 9166745

IUPAC(5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCCCc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)sc1C
InChIInChI=1S/C19H22F3N3OS/c1-3-4-14-11-16(27-13(14)2)18(26)25-9-7-24(8-10-25)17-6-5-15(12-23-17)19(20,21)22/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyLPMIOQGIIUWNJA-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.39
Rot. Bonds4

About (5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

(5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 9166745) has the molecular formula C19H22F3N3OS and a molecular weight of 397.47 g/mol. Its IUPAC name is (5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID9166745
Molecular FormulaC19H22F3N3OS
Molecular Weight397.47 g/mol
Exact Mass397.14
IUPAC Name(5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCCCc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)sc1C
InChIInChI=1S/C19H22F3N3OS/c1-3-4-14-11-16(27-13(14)2)18(26)25-9-7-24(8-10-25)17-6-5-15(12-23-17)19(20,21)22/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyLPMIOQGIIUWNJA-UHFFFAOYSA-N
XLogP4.39
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 9166745) is (5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is CCCc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)sc1C.
What is the InChIKey of (5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is LPMIOQGIIUWNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3OS/c1-3-4-14-11-16(27-13(14)2)18(26)25-9-7-24(8-10-25)17-6-5-15(12-23-17)19(20,21)22/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of (5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 397.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 9166745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).