3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride

C17H23ClN4O — CID 120841552

IUPAC3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1cc(N2CCCCC2)ccc1-c1noc([C@H]2CCNC2)n1
InChIInChI=1S/C17H22N4O.ClH/c1-2-10-21(11-3-1)15-6-4-13(5-7-15)16-19-17(22-20-16)14-8-9-18-12-14;/h4-7,14,18H,1-3,8-12H2;1H/t14-;/m0./s1
InChIKeyXDMXZPOGFAEQMW-UQKRIMTDSA-N
MW334.85 g/mol
LogP3.23
Rot. Bonds3

About 3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride

3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120841552) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120841552
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1cc(N2CCCCC2)ccc1-c1noc([C@H]2CCNC2)n1
InChIInChI=1S/C17H22N4O.ClH/c1-2-10-21(11-3-1)15-6-4-13(5-7-15)16-19-17(22-20-16)14-8-9-18-12-14;/h4-7,14,18H,1-3,8-12H2;1H/t14-;/m0./s1
InChIKeyXDMXZPOGFAEQMW-UQKRIMTDSA-N
XLogP3.23
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
3-[3-(piperidin-1-ylmethyl)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120839306
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
5-(5-azaspiro[2.4]heptan-2-yl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 120841555
3-(4-methylsulfonylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120841276
methyl 4-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841376
3-(3,4-difluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917701
1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
CID 96781240
5-(4,4-difluoropyrrolidin-2-yl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120841550
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841635

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride (CID 120841552) is 3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride is Cl.c1cc(N2CCCCC2)ccc1-c1noc([C@H]2CCNC2)n1.
What is the InChIKey of 3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is XDMXZPOGFAEQMW-UQKRIMTDSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-2-10-21(11-3-1)15-6-4-13(5-7-15)16-19-17(22-20-16)14-8-9-18-12-14;/h4-7,14,18H,1-3,8-12H2;1H/t14-;/m0./s1.
What are the key properties of 3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride?
3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120841552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).