4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one

C18H22ClN3O2 — CID 110618137

IUPAC4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCc1nnc(C2CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C18H22ClN3O2/c1-13-20-21-18(24-13)15-9-11-22(12-10-15)17(23)4-2-3-14-5-7-16(19)8-6-14/h5-8,15H,2-4,9-12H2,1H3
InChIKeyNOUYYYOENXNFPA-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.76
Rot. Bonds5

About 4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one

4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 110618137) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID110618137
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCc1nnc(C2CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C18H22ClN3O2/c1-13-20-21-18(24-13)15-9-11-22(12-10-15)17(23)4-2-3-14-5-7-16(19)8-6-14/h5-8,15H,2-4,9-12H2,1H3
InChIKeyNOUYYYOENXNFPA-UHFFFAOYSA-N
XLogP3.76
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 59347461
1-[4-(4-chlorophenyl)piperidin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 166250034
4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 90539912
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one
CID 110612137
5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one
CID 57153662
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110423701
4-(4-tert-butylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butan-1-one
CID 110419621
1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930872
1-(4-chlorophenyl)-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butane-1,4-dione
CID 90539805
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one
CID 55773001
benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 19029125

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one (CID 110618137) is 4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one is Cc1nnc(C2CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is NOUYYYOENXNFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-13-20-21-18(24-13)15-9-11-22(12-10-15)17(23)4-2-3-14-5-7-16(19)8-6-14/h5-8,15H,2-4,9-12H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one?
4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 347.85 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110618137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).