2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid

C19H23ClF3N3O3 — CID 6734967

IUPAC2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCCC1
InChIInChI=1S/C19H23ClF3N3O3/c20-14-9-13(19(21,22)23)12-24-17(14)26-7-5-25(6-8-26)15(27)10-18(11-16(28)29)3-1-2-4-18/h9,12H,1-8,10-11H2,(H,28,29)
InChIKeyCEBMUEDKWXIYKT-UHFFFAOYSA-N
MW433.86 g/mol
LogP3.83
Rot. Bonds5

About 2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 6734967) has the molecular formula C19H23ClF3N3O3 and a molecular weight of 433.86 g/mol. Its IUPAC name is 2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID6734967
Molecular FormulaC19H23ClF3N3O3
Molecular Weight433.86 g/mol
Exact Mass433.14
IUPAC Name2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCCC1
InChIInChI=1S/C19H23ClF3N3O3/c20-14-9-13(19(21,22)23)12-24-17(14)26-7-5-25(6-8-26)15(27)10-18(11-16(28)29)3-1-2-4-18/h9,12H,1-8,10-11H2,(H,28,29)
InChIKeyCEBMUEDKWXIYKT-UHFFFAOYSA-N
XLogP3.83
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.86
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid (CID 6734967) is 2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCCC1.
What is the InChIKey of 2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is CEBMUEDKWXIYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF3N3O3/c20-14-9-13(19(21,22)23)12-24-17(14)26-7-5-25(6-8-26)15(27)10-18(11-16(28)29)3-1-2-4-18/h9,12H,1-8,10-11H2,(H,28,29).
What are the key properties of 2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 433.86 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 6734967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).