[3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

C29H26ClF3N4O3 — CID 75238364

IUPAC[3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESCc1nc(-c2ccc(C(=O)N3CCC(C(C)Oc4ccc(C(F)(F)F)cn4)C(c4ccc(Cl)cc4)C3)cc2)no1
InChIInChI=1S/C29H26ClF3N4O3/c1-17(39-26-12-9-22(15-34-26)29(31,32)33)24-13-14-37(16-25(24)19-7-10-23(30)11-8-19)28(38)21-5-3-20(4-6-21)27-35-18(2)40-36-27/h3-12,15,17,24-25H,13-14,16H2,1-2H3
InChIKeyOIOGJQDTOOMSNF-UHFFFAOYSA-N
MW571.00 g/mol
LogP6.83
Rot. Bonds6

About [3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

[3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone (PubChem CID 75238364) has the molecular formula C29H26ClF3N4O3 and a molecular weight of 571.00 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
PubChem CID75238364
Molecular FormulaC29H26ClF3N4O3
Molecular Weight571.00 g/mol
Exact Mass570.16
IUPAC Name[3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESCc1nc(-c2ccc(C(=O)N3CCC(C(C)Oc4ccc(C(F)(F)F)cn4)C(c4ccc(Cl)cc4)C3)cc2)no1
InChIInChI=1S/C29H26ClF3N4O3/c1-17(39-26-12-9-22(15-34-26)29(31,32)33)24-13-14-37(16-25(24)19-7-10-23(30)11-8-19)28(38)21-5-3-20(4-6-21)27-35-18(2)40-36-27/h3-12,15,17,24-25H,13-14,16H2,1-2H3
InChIKeyOIOGJQDTOOMSNF-UHFFFAOYSA-N
XLogP6.83
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.00
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,4S)-3-(4-chlorophenyl)-4-[(1S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone
CID 59438187
(6-chloro-3-pyridinyl)-[3-(3,4-dichlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-1-yl]methanone
CID 76609440
(2-chloro-4-pyridinyl)-[3-(3,4-dichlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-1-yl]methanone
CID 76609422
[3-(4-chlorophenyl)-4-[(1S)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]pyrrolidin-1-yl]-(6-methylpyridazin-4-yl)methanone
CID 67131390
6-[4-[(3S,4S)-3-(4-chlorophenyl)-4-[(1S)-1-[(5-fluoro-2-pyridinyl)oxy]ethyl]piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 46870977
4-[(3S,4S)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 67131449
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800
2-methyl-1-[(3S)-3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
CID 163467478
(6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone
CID 143759060
[(3S,4S)-3-[(1S)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 67131512
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
[3,5-bis(trifluoromethyl)phenyl]-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3581674

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The IUPAC name of [3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone (CID 75238364) is [3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The canonical SMILES for [3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone is Cc1nc(-c2ccc(C(=O)N3CCC(C(C)Oc4ccc(C(F)(F)F)cn4)C(c4ccc(Cl)cc4)C3)cc2)no1.
What is the InChIKey of [3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The InChIKey is OIOGJQDTOOMSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClF3N4O3/c1-17(39-26-12-9-22(15-34-26)29(31,32)33)24-13-14-37(16-25(24)19-7-10-23(30)11-8-19)28(38)21-5-3-20(4-6-21)27-35-18(2)40-36-27/h3-12,15,17,24-25H,13-14,16H2,1-2H3.
What are the key properties of [3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
[3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone has a molecular weight of 571.00 g/mol, XLogP of 6.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone is sourced from PubChem (CID 75238364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).