[4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride

C19H22ClN5O3S — CID 120892568

IUPAC[4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2noc(C3CCN(S(=O)(=O)c4cccnc4)CC3)n2)cc1
InChIInChI=1S/C19H21N5O3S.ClH/c20-12-14-3-5-15(6-4-14)18-22-19(27-23-18)16-7-10-24(11-8-16)28(25,26)17-2-1-9-21-13-17;/h1-6,9,13,16H,7-8,10-12,20H2;1H
InChIKeyYAXMFNBBVFJFPX-UHFFFAOYSA-N
MW435.94 g/mol
LogP2.58
Rot. Bonds5

About [4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride

[4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride (PubChem CID 120892568) has the molecular formula C19H22ClN5O3S and a molecular weight of 435.94 g/mol. Its IUPAC name is [4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
PubChem CID120892568
Molecular FormulaC19H22ClN5O3S
Molecular Weight435.94 g/mol
Exact Mass435.11
IUPAC Name[4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2noc(C3CCN(S(=O)(=O)c4cccnc4)CC3)n2)cc1
InChIInChI=1S/C19H21N5O3S.ClH/c20-12-14-3-5-15(6-4-14)18-22-19(27-23-18)16-7-10-24(11-8-16)28(25,26)17-2-1-9-21-13-17;/h1-6,9,13,16H,7-8,10-12,20H2;1H
InChIKeyYAXMFNBBVFJFPX-UHFFFAOYSA-N
XLogP2.58
TPSA115.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.94
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride with MolForge

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Related Compounds

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50824889
5-[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 24731368
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 5138460
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957247
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 46602569
5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 55641277
3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 650498
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 27444747
5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 4644145
3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 24731346
5-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 155942953

Frequently Asked Questions

What is the IUPAC name of [4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of [4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride (CID 120892568) is [4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride is Cl.NCc1ccc(-c2noc(C3CCN(S(=O)(=O)c4cccnc4)CC3)n2)cc1.
What is the InChIKey of [4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The InChIKey is YAXMFNBBVFJFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S.ClH/c20-12-14-3-5-15(6-4-14)18-22-19(27-23-18)16-7-10-24(11-8-16)28(25,26)17-2-1-9-21-13-17;/h1-6,9,13,16H,7-8,10-12,20H2;1H.
What are the key properties of [4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
[4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride has a molecular weight of 435.94 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 120892568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).