N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride

C13H19ClN4OS — CID 119923233

IUPACN-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCNC1CCN(Cc2nc(-c3ccsc3)no2)CC1.Cl
InChIInChI=1S/C13H18N4OS.ClH/c1-14-11-2-5-17(6-3-11)8-12-15-13(16-18-12)10-4-7-19-9-10;/h4,7,9,11,14H,2-3,5-6,8H2,1H3;1H
InChIKeyANPADROTHOAWHT-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.40
Rot. Bonds4

About N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride

N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 119923233) has the molecular formula C13H19ClN4OS and a molecular weight of 314.84 g/mol. Its IUPAC name is N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID119923233
Molecular FormulaC13H19ClN4OS
Molecular Weight314.84 g/mol
Exact Mass314.10
IUPAC NameN-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCNC1CCN(Cc2nc(-c3ccsc3)no2)CC1.Cl
InChIInChI=1S/C13H18N4OS.ClH/c1-14-11-2-5-17(6-3-11)8-12-15-13(16-18-12)10-4-7-19-9-10;/h4,7,9,11,14H,2-3,5-6,8H2,1H3;1H
InChIKeyANPADROTHOAWHT-UHFFFAOYSA-N
XLogP2.40
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride with MolForge

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Related Compounds

(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933666
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923283
1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630225
5-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 94897731
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444
(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 51931966
N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide
CID 94176772
5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 104975556
[(1S,2R)-2-methylcyclopropyl]-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 38219276
5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 33034311
(6R)-2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95586164
2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 48633424

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride (CID 119923233) is N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride is CNC1CCN(Cc2nc(-c3ccsc3)no2)CC1.Cl.
What is the InChIKey of N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is ANPADROTHOAWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS.ClH/c1-14-11-2-5-17(6-3-11)8-12-15-13(16-18-12)10-4-7-19-9-10;/h4,7,9,11,14H,2-3,5-6,8H2,1H3;1H.
What are the key properties of N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride?
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 314.84 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119923233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).