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

C14H26N4O — CID 106414020

IUPAC1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCCN1CCC(C(C)NCCc2nc(C)no2)CC1
InChIInChI=1S/C14H26N4O/c1-4-18-9-6-13(7-10-18)11(2)15-8-5-14-16-12(3)17-19-14/h11,13,15H,4-10H2,1-3H3
InChIKeyNDGBBNPVPNDUOE-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.63
Rot. Bonds6

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

1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine (PubChem CID 106414020) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
PubChem CID106414020
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCCN1CCC(C(C)NCCc2nc(C)no2)CC1
InChIInChI=1S/C14H26N4O/c1-4-18-9-6-13(7-10-18)11(2)15-8-5-14-16-12(3)17-19-14/h11,13,15H,4-10H2,1-3H3
InChIKeyNDGBBNPVPNDUOE-UHFFFAOYSA-N
XLogP1.63
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.63
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-(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
4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride
CID 45791888
3-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride
CID 50988177
4-(3-Isopropyl-1,2,4-oxadiazol-5-YL)piperidine hydrochloride
CID 53400827
4-[(5-Methyl-1,2,4-oxadiazol-3-YL)methyl]piperidine hydrochloride
CID 53433778

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine (CID 106414020) is 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine is CCN1CCC(C(C)NCCc2nc(C)no2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The InChIKey is NDGBBNPVPNDUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-18-9-6-13(7-10-18)11(2)15-8-5-14-16-12(3)17-19-14/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 106414020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).