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

C13H24N4O — CID 106418244

IUPACN-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCc2nc(C)no2)CC1C
InChIInChI=1S/C13H24N4O/c1-4-14-12-5-7-17(9-10(12)2)8-6-13-15-11(3)16-18-13/h10,12,14H,4-9H2,1-3H3
InChIKeyLYDZWWAAZVZXGS-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.24
Rot. Bonds5

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

N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine (PubChem CID 106418244) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
PubChem CID106418244
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCc2nc(C)no2)CC1C
InChIInChI=1S/C13H24N4O/c1-4-14-12-5-7-17(9-10(12)2)8-6-13-15-11(3)16-18-13/h10,12,14H,4-9H2,1-3H3
InChIKeyLYDZWWAAZVZXGS-UHFFFAOYSA-N
XLogP1.24
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.24
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
N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide
CID 16189997
3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidine
CID 6486603
5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahydro-pyrimidine; TFA
CID 9838581
3-[5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine hydrochloride
CID 50988079
3-(3-Ethyl-1,2,4-oxadiazol-5-yl)piperidine
CID 19886311
4-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride
CID 21098311
4-(3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl)piperidine
CID 24208845
3-(3-Isopropyl-1,2,4-oxadiazol-5-YL)piperidine
CID 24208851
3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride
CID 45791886
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine (CID 106418244) is N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine is CCNC1CCN(CCc2nc(C)no2)CC1C.
What is the InChIKey of N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The InChIKey is LYDZWWAAZVZXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-14-12-5-7-17(9-10(12)2)8-6-13-15-11(3)16-18-13/h10,12,14H,4-9H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 106418244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).