(4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone

C22H21ClFN3O3 — CID 91906450

IUPAC(4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1cc(Cl)ccc1C(=O)N1CCC(Cc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C22H21ClFN3O3/c1-29-19-13-16(23)4-7-18(19)22(28)27-10-8-14(9-11-27)12-20-25-21(26-30-20)15-2-5-17(24)6-3-15/h2-7,13-14H,8-12H2,1H3
InChIKeyUBBCZAQICSBVTP-UHFFFAOYSA-N
MW429.88 g/mol
LogP4.63
Rot. Bonds5

About (4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone

(4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (PubChem CID 91906450) has the molecular formula C22H21ClFN3O3 and a molecular weight of 429.88 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
PubChem CID91906450
Molecular FormulaC22H21ClFN3O3
Molecular Weight429.88 g/mol
Exact Mass429.13
IUPAC Name(4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESCOc1cc(Cl)ccc1C(=O)N1CCC(Cc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C22H21ClFN3O3/c1-29-19-13-16(23)4-7-18(19)22(28)27-10-8-14(9-11-27)12-20-25-21(26-30-20)15-2-5-17(24)6-3-15/h2-7,13-14H,8-12H2,1H3
InChIKeyUBBCZAQICSBVTP-UHFFFAOYSA-N
XLogP4.63
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (CID 91906450) is (4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is COc1cc(Cl)ccc1C(=O)N1CCC(Cc2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is UBBCZAQICSBVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O3/c1-29-19-13-16(23)4-7-18(19)22(28)27-10-8-14(9-11-27)12-20-25-21(26-30-20)15-2-5-17(24)6-3-15/h2-7,13-14H,8-12H2,1H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
(4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 429.88 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91906450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).