2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole

C20H22N4O — CID 171359461

IUPAC2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole
SMILESC[C@H]1[C@@H](c2nnc(C=Cc3ccnc4ccccc34)o2)CCCN1C
InChIInChI=1S/C20H22N4O/c1-14-16(7-5-13-24(14)2)20-23-22-19(25-20)10-9-15-11-12-21-18-8-4-3-6-17(15)18/h3-4,6,8-12,14,16H,5,7,13H2,1-2H3/t14-,16-/m0/s1
InChIKeyVVRJTOKJQQOSII-HOCLYGCPSA-N
MW334.42 g/mol
LogP3.99
Rot. Bonds3

About 2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole

2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole (PubChem CID 171359461) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole
PubChem CID171359461
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole
SMILESC[C@H]1[C@@H](c2nnc(C=Cc3ccnc4ccccc34)o2)CCCN1C
InChIInChI=1S/C20H22N4O/c1-14-16(7-5-13-24(14)2)20-23-22-19(25-20)10-9-15-11-12-21-18-8-4-3-6-17(15)18/h3-4,6,8-12,14,16H,5,7,13H2,1-2H3/t14-,16-/m0/s1
InChIKeyVVRJTOKJQQOSII-HOCLYGCPSA-N
XLogP3.99
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline
CID 6282159
4-[(Z)-prop-1-enyl]quinoline
CID 89064507
4-[(1E,3E)-4-cyclohexylbuta-1,3-dienyl]quinoline
CID 138980430
4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline
CID 58870156
(2R,3R)-1,2-dimethyl-3-phenylpiperidine
CID 97355864
(E)-1-[4-(dimethylamino)piperidin-1-yl]-3-quinolin-4-ylprop-2-en-1-one
CID 75407554
2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole
CID 167800402
4-(2-quinolin-4-ylethenyl)phenol
CID 619025
(E)-3-quinolin-4-ylprop-2-enal
CID 10419846
N-methyl-1-(1-quinolin-4-ylpyrrolidin-2-yl)methanamine
CID 62585638
4-(3-methylbuta-1,3-dienyl)quinoline
CID 123171644
4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline
CID 5478230

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole (CID 171359461) is 2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole is C[C@H]1[C@@H](c2nnc(C=Cc3ccnc4ccccc34)o2)CCCN1C.
What is the InChIKey of 2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole?
The InChIKey is VVRJTOKJQQOSII-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-16(7-5-13-24(14)2)20-23-22-19(25-20)10-9-15-11-12-21-18-8-4-3-6-17(15)18/h3-4,6,8-12,14,16H,5,7,13H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of 2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole?
2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole has a molecular weight of 334.42 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-1,2-dimethylpiperidin-3-yl]-5-(2-quinolin-4-ylethenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 171359461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).