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

C12H22N4O — CID 114186320

IUPACN-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCc2nc(C)no2)CC1
InChIInChI=1S/C12H22N4O/c1-3-13-11-4-7-16(8-5-11)9-6-12-14-10(2)15-17-12/h11,13H,3-9H2,1-2H3
InChIKeyAOUQGBVSLGZHRQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.99
Rot. Bonds5

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

N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine (PubChem CID 114186320) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
PubChem CID114186320
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCc2nc(C)no2)CC1
InChIInChI=1S/C12H22N4O/c1-3-13-11-4-7-16(8-5-11)9-6-12-14-10(2)15-17-12/h11,13H,3-9H2,1-2H3
InChIKeyAOUQGBVSLGZHRQ-UHFFFAOYSA-N
XLogP0.99
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine
CID 9815409
3-Methyl-5-piperazin-2-yl-1,2,4-oxadiazole
CID 14742608
1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine
CID 54592609
1-(1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl)piperazine
CID 54592607
1-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-YL)piperazine
CID 14742613
3-[5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine hydrochloride
CID 50988079
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 86775555
2-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride
CID 50988175
3-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride
CID 50988177
4-[(5-Methyl-1,2,4-oxadiazol-3-YL)methyl]piperidine hydrochloride
CID 53433778
3-(5-Isopropyl-[1,2,4]oxadiazol-3-yl)-piperidine
CID 50988080
3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 53586204

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine (CID 114186320) is N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine is CCNC1CCN(CCc2nc(C)no2)CC1.
What is the InChIKey of N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The InChIKey is AOUQGBVSLGZHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-13-11-4-7-16(8-5-11)9-6-12-14-10(2)15-17-12/h11,13H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 114186320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).