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

C13H19ClN4OS — CID 119913147

IUPACN-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCN(Cc1nc(-c2cccs2)no1)C1CCNCC1.Cl
InChIInChI=1S/C13H18N4OS.ClH/c1-17(10-4-6-14-7-5-10)9-12-15-13(16-18-12)11-3-2-8-19-11;/h2-3,8,10,14H,4-7,9H2,1H3;1H
InChIKeySKRPOZIJKRAMRT-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.40
Rot. Bonds4

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

N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 119913147) has the molecular formula C13H19ClN4OS and a molecular weight of 314.84 g/mol. Its IUPAC name is N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID119913147
Molecular FormulaC13H19ClN4OS
Molecular Weight314.84 g/mol
Exact Mass314.10
IUPAC NameN-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCN(Cc1nc(-c2cccs2)no1)C1CCNCC1.Cl
InChIInChI=1S/C13H18N4OS.ClH/c1-17(10-4-6-14-7-5-10)9-12-15-13(16-18-12)11-3-2-8-19-11;/h2-3,8,10,14H,4-7,9H2,1H3;1H
InChIKeySKRPOZIJKRAMRT-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-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride with MolForge

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Related Compounds

N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233181
N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43607304
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913209
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607543
5-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120847602
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119916503
1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347362
N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 71884001
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 82713468
5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 81046211
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 53277887
2-methoxy-N-(2-methoxyethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 78807249

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride (CID 119913147) is N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride is CN(Cc1nc(-c2cccs2)no1)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is SKRPOZIJKRAMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS.ClH/c1-17(10-4-6-14-7-5-10)9-12-15-13(16-18-12)11-3-2-8-19-11;/h2-3,8,10,14H,4-7,9H2,1H3;1H.
What are the key properties of N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride?
N-methyl-N-[(3-thiophen-2-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-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119913147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).