[1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C20H21ClF3N3O2 — CID 90539914

IUPAC[1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2nnc(C(F)(F)F)o2)CC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H21ClF3N3O2/c21-15-5-3-14(4-6-15)19(9-1-2-10-19)18(28)27-11-7-13(8-12-27)16-25-26-17(29-16)20(22,23)24/h3-6,13H,1-2,7-12H2
InChIKeyAELZWOVYYOLPPR-UHFFFAOYSA-N
MW427.85 g/mol
LogP4.96
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

[1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 90539914) has the molecular formula C20H21ClF3N3O2 and a molecular weight of 427.85 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID90539914
Molecular FormulaC20H21ClF3N3O2
Molecular Weight427.85 g/mol
Exact Mass427.13
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2nnc(C(F)(F)F)o2)CC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H21ClF3N3O2/c21-15-5-3-14(4-6-15)19(9-1-2-10-19)18(28)27-11-7-13(8-12-27)16-25-26-17(29-16)20(22,23)24/h3-6,13H,1-2,7-12H2
InChIKeyAELZWOVYYOLPPR-UHFFFAOYSA-N
XLogP4.96
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 90539914) is [1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(N1CCC(c2nnc(C(F)(F)F)o2)CC1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is AELZWOVYYOLPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O2/c21-15-5-3-14(4-6-15)19(9-1-2-10-19)18(28)27-11-7-13(8-12-27)16-25-26-17(29-16)20(22,23)24/h3-6,13H,1-2,7-12H2.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 427.85 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90539914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).