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

C15H22N4OS — CID 79701543

IUPACN-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCN(Cc1nc(-c2ccsc2)no1)CC1CCNCC1
InChIInChI=1S/C15H22N4OS/c1-2-19(9-12-3-6-16-7-4-12)10-14-17-15(18-20-14)13-5-8-21-11-13/h5,8,11-12,16H,2-4,6-7,9-10H2,1H3
InChIKeyADYAEFRCYISERA-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.62
Rot. Bonds6

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

N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 79701543) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID79701543
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC NameN-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCN(Cc1nc(-c2ccsc2)no1)CC1CCNCC1
InChIInChI=1S/C15H22N4OS/c1-2-19(9-12-3-6-16-7-4-12)10-14-17-15(18-20-14)13-5-8-21-11-13/h5,8,11-12,16H,2-4,6-7,9-10H2,1H3
InChIKeyADYAEFRCYISERA-UHFFFAOYSA-N
XLogP2.62
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43607304
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
2-[propyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60696504
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714567
N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 154895780
2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 119914972
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 24534529
1-cyclopropyl-N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine
CID 116652488
2-[2-(dimethylamino)ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 107425703
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 51964028
tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 174704864

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 79701543) is N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCN(Cc1nc(-c2ccsc2)no1)CC1CCNCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is ADYAEFRCYISERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-2-19(9-12-3-6-16-7-4-12)10-14-17-15(18-20-14)13-5-8-21-11-13/h5,8,11-12,16H,2-4,6-7,9-10H2,1H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 306.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 79701543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).