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

C19H24N4O4S — CID 53031173

IUPACpiperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone
SMILESO=C(c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1)N1CCCCC1
InChIInChI=1S/C19H24N4O4S/c24-19(22-11-3-1-4-12-22)18-20-17(21-27-18)15-7-9-16(10-8-15)28(25,26)23-13-5-2-6-14-23/h7-10H,1-6,11-14H2
InChIKeyGLOKLIDAOVTUJR-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.54
Rot. Bonds4

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

piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone (PubChem CID 53031173) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone
PubChem CID53031173
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Namepiperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone
SMILESO=C(c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1)N1CCCCC1
InChIInChI=1S/C19H24N4O4S/c24-19(22-11-3-1-4-12-22)18-20-17(21-27-18)15-7-9-16(10-8-15)28(25,26)23-13-5-2-6-14-23/h7-10H,1-6,11-14H2
InChIKeyGLOKLIDAOVTUJR-UHFFFAOYSA-N
XLogP2.54
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 53010217
azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 46393407
[3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
CID 53205049
N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 53010218
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53205292
5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266
[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53175202
N-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 648652
3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53075259
[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 50837253

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone?
The IUPAC name of piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone (CID 53031173) is piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone?
The canonical SMILES for piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone is O=C(c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone?
The InChIKey is GLOKLIDAOVTUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c24-19(22-11-3-1-4-12-22)18-20-17(21-27-18)15-7-9-16(10-8-15)28(25,26)23-13-5-2-6-14-23/h7-10H,1-6,11-14H2.
What are the key properties of piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone?
piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone has a molecular weight of 404.49 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone is sourced from PubChem (CID 53031173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).