2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

C14H26N4O — CID 63160844

IUPAC2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCC1(C)CCN(Cc2nc(C(C)(C)N)no2)CC1
InChIInChI=1S/C14H26N4O/c1-5-14(4)6-8-18(9-7-14)10-11-16-12(17-19-11)13(2,3)15/h5-10,15H2,1-4H3
InChIKeyKSRJUOQIHLUELD-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.28
Rot. Bonds4

About 2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 63160844) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID63160844
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCC1(C)CCN(Cc2nc(C(C)(C)N)no2)CC1
InChIInChI=1S/C14H26N4O/c1-5-14(4)6-8-18(9-7-14)10-11-16-12(17-19-11)13(2,3)15/h5-10,15H2,1-4H3
InChIKeyKSRJUOQIHLUELD-UHFFFAOYSA-N
XLogP2.28
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine with MolForge

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Related Compounds

2-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119931315
2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 54857179
2-[5-(2-azaspiro[4.5]decan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119932121
2-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119930542
[1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol
CID 106837116
2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63624443
2-[5-[(4-cyclopentylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride
CID 119932558
2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 114538081
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
2-[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;dihydrochloride
CID 119932594
[3-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752310
3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole
CID 166211940

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 63160844) is 2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CCC1(C)CCN(Cc2nc(C(C)(C)N)no2)CC1.
What is the InChIKey of 2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is KSRJUOQIHLUELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-14(4)6-8-18(9-7-14)10-11-16-12(17-19-11)13(2,3)15/h5-10,15H2,1-4H3.
What are the key properties of 2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 63160844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).