1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine

C17H23ClN4O — CID 120774595

IUPAC1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine
SMILESCC(c1nc(-c2ccc(Cl)cc2)no1)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C17H23ClN4O/c1-11(22-9-8-14(19)17(2,3)10-22)16-20-15(21-23-16)12-4-6-13(18)7-5-12/h4-7,11,14H,8-10,19H2,1-3H3
InChIKeyJWMGDWITVAWLDH-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.51
Rot. Bonds3

About 1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine

1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120774595) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120774595
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine
SMILESCC(c1nc(-c2ccc(Cl)cc2)no1)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C17H23ClN4O/c1-11(22-9-8-14(19)17(2,3)10-22)16-20-15(21-23-16)12-4-6-13(18)7-5-12/h4-7,11,14H,8-10,19H2,1-3H3
InChIKeyJWMGDWITVAWLDH-UHFFFAOYSA-N
XLogP3.51
TPSA68.18 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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine with MolForge

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Related Compounds

1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774953
3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 120774488
methyl 4-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carboxylate
CID 78865009
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 61014151
(2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43063170
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345393
5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 94513017
1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907313
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanediol
CID 12569996
(1S,2S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 29047795
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345437
(4-methylphenyl)-[1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
CID 87034801

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine (CID 120774595) is 1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine is CC(c1nc(-c2ccc(Cl)cc2)no1)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is JWMGDWITVAWLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-11(22-9-8-14(19)17(2,3)10-22)16-20-15(21-23-16)12-4-6-13(18)7-5-12/h4-7,11,14H,8-10,19H2,1-3H3.
What are the key properties of 1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine?
1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 334.85 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120774595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).