(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

C18H22ClN3O5S — CID 46528740

IUPAC(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
SMILESCC(C)c1noc(COC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C18H22ClN3O5S/c1-12(2)17-20-16(27-21-17)11-26-18(23)13-4-3-9-22(10-13)28(24,25)15-7-5-14(19)6-8-15/h5-8,12-13H,3-4,9-11H2,1-2H3
InChIKeyMUCPUTYGGLELHL-UHFFFAOYSA-N
MW427.91 g/mol
LogP2.99
Rot. Bonds6

About (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate (PubChem CID 46528740) has the molecular formula C18H22ClN3O5S and a molecular weight of 427.91 g/mol. Its IUPAC name is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
PubChem CID46528740
Molecular FormulaC18H22ClN3O5S
Molecular Weight427.91 g/mol
Exact Mass427.10
IUPAC Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
SMILESCC(C)c1noc(COC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C18H22ClN3O5S/c1-12(2)17-20-16(27-21-17)11-26-18(23)13-4-3-9-22(10-13)28(24,25)15-7-5-14(19)6-8-15/h5-8,12-13H,3-4,9-11H2,1-2H3
InChIKeyMUCPUTYGGLELHL-UHFFFAOYSA-N
XLogP2.99
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 46519668
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 55510779
[2-(3-methylbutylamino)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 46512228
1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate
CID 55539435
(3-methoxyphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 46545357
ethyl 1-[(3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 126234271
N-ethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365327
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 46659654
(4-pyrazol-1-ylphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 46514071
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 25480854
[2-(4-chlorophenyl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 55427695

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate (CID 46528740) is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate is CC(C)c1noc(COC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate?
The InChIKey is MUCPUTYGGLELHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O5S/c1-12(2)17-20-16(27-21-17)11-26-18(23)13-4-3-9-22(10-13)28(24,25)15-7-5-14(19)6-8-15/h5-8,12-13H,3-4,9-11H2,1-2H3.
What are the key properties of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate?
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate has a molecular weight of 427.91 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 46528740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).