(3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C20H17Cl2N3O2 — CID 5126087

IUPAC(3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C20H17Cl2N3O2/c21-16-9-8-14(11-17(16)22)20(26)25-10-4-7-15(12-25)19-23-18(24-27-19)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2
InChIKeyYYHNVZXCYKIRRN-UHFFFAOYSA-N
MW402.28 g/mol
LogP5.06
Rot. Bonds3

About (3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 5126087) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID5126087
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC Name(3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C20H17Cl2N3O2/c21-16-9-8-14(11-17(16)22)20(26)25-10-4-7-15(12-25)19-23-18(24-27-19)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2
InChIKeyYYHNVZXCYKIRRN-UHFFFAOYSA-N
XLogP5.06
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.28
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4640264
[3,5-bis(trifluoromethyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4045470
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 1456159
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 4037209
(3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3912451
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 7201957
[(3R)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 7201958
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
N-[4-[5-[(3R)-1-(4-chlorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93071646
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
3H-benzimidazol-5-yl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87053044
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 3654345

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 5126087) is (3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of (3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is YYHNVZXCYKIRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c21-16-9-8-14(11-17(16)22)20(26)25-10-4-7-15(12-25)19-23-18(24-27-19)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2.
What are the key properties of (3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 402.28 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 5126087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).