[1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone

C22H29ClN4O4S — CID 92877697

IUPAC[1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C)n3)ccc2Cl)CC1
InChIInChI=1S/C22H29ClN4O4S/c1-3-18-6-4-5-11-27(18)22(28)16-9-12-26(13-10-16)32(29,30)20-14-17(7-8-19(20)23)21-24-15(2)31-25-21/h7-8,14,16,18H,3-6,9-13H2,1-2H3/t18-/m0/s1
InChIKeyGWRYJBCMJAVCAW-SFHVURJKSA-N
MW481.02 g/mol
LogP3.89
Rot. Bonds5

About [1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone

[1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone (PubChem CID 92877697) has the molecular formula C22H29ClN4O4S and a molecular weight of 481.02 g/mol. Its IUPAC name is [1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone
PubChem CID92877697
Molecular FormulaC22H29ClN4O4S
Molecular Weight481.02 g/mol
Exact Mass480.16
IUPAC Name[1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C)n3)ccc2Cl)CC1
InChIInChI=1S/C22H29ClN4O4S/c1-3-18-6-4-5-11-27(18)22(28)16-9-12-26(13-10-16)32(29,30)20-14-17(7-8-19(20)23)21-24-15(2)31-25-21/h7-8,14,16,18H,3-6,9-13H2,1-2H3/t18-/m0/s1
InChIKeyGWRYJBCMJAVCAW-SFHVURJKSA-N
XLogP3.89
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.02
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-cyclopentylpiperidine-3-carboxamide
CID 92731225
1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 46365908
1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 46365933
(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92731232
(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 92731250
1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46366060
(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92746169
(3R)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-methyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 92726835
(3S)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 92731259
(3S)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92731247
1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 46288566
(3S)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 92726834

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone?
The IUPAC name of [1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone (CID 92877697) is [1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone.
What is the SMILES notation for [1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone?
The canonical SMILES for [1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone is CC[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C)n3)ccc2Cl)CC1.
What is the InChIKey of [1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone?
The InChIKey is GWRYJBCMJAVCAW-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29ClN4O4S/c1-3-18-6-4-5-11-27(18)22(28)16-9-12-26(13-10-16)32(29,30)20-14-17(7-8-19(20)23)21-24-15(2)31-25-21/h7-8,14,16,18H,3-6,9-13H2,1-2H3/t18-/m0/s1.
What are the key properties of [1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone?
[1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone has a molecular weight of 481.02 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-4-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone is sourced from PubChem (CID 92877697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).