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

C13H18N4OS — CID 43607304

IUPACN-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
SMILESCN(Cc1nc(-c2ccsc2)no1)C1CCNCC1
InChIInChI=1S/C13H18N4OS/c1-17(11-2-5-14-6-3-11)8-12-15-13(16-18-12)10-4-7-19-9-10/h4,7,9,11,14H,2-3,5-6,8H2,1H3
InChIKeyCIQBAKBZEUGWPI-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.98
Rot. Bonds4

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

N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (PubChem CID 43607304) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
PubChem CID43607304
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
SMILESCN(Cc1nc(-c2ccsc2)no1)C1CCNCC1
InChIInChI=1S/C13H18N4OS/c1-17(11-2-5-14-6-3-11)8-12-15-13(16-18-12)10-4-7-19-9-10/h4,7,9,11,14H,2-3,5-6,8H2,1H3
InChIKeyCIQBAKBZEUGWPI-UHFFFAOYSA-N
XLogP1.98
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607543
N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 79701543
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913209
5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119947859
N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66183896
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119913147
2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 119914972
1-cyclopropyl-N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine
CID 116652488
2-[[cyclohexyl(methyl)amino]methyl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 24674309
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine
CID 63301628
4-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butanoic acid
CID 55006126
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66188094

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (CID 43607304) is N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine is CN(Cc1nc(-c2ccsc2)no1)C1CCNCC1.
What is the InChIKey of N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is CIQBAKBZEUGWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-17(11-2-5-14-6-3-11)8-12-15-13(16-18-12)10-4-7-19-9-10/h4,7,9,11,14H,2-3,5-6,8H2,1H3.
What are the key properties of N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 1.98, 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-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 43607304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).