1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

C11H20N4O — CID 106393094

IUPAC1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESCC(NCc1ncon1)C1CCN(C)CC1
InChIInChI=1S/C11H20N4O/c1-9(10-3-5-15(2)6-4-10)12-7-11-13-8-16-14-11/h8-10,12H,3-7H2,1-2H3
InChIKeyPAVSRQCAWCBQGR-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.89
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (PubChem CID 106393094) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
PubChem CID106393094
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESCC(NCc1ncon1)C1CCN(C)CC1
InChIInChI=1S/C11H20N4O/c1-9(10-3-5-15(2)6-4-10)12-7-11-13-8-16-14-11/h8-10,12H,3-7H2,1-2H3
InChIKeyPAVSRQCAWCBQGR-UHFFFAOYSA-N
XLogP0.89
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2,4-Oxadiazol-3-yl)piperidine hydrochloride
CID 75531095
2-(1,2,4-Oxadiazol-3-yl)piperidine hydrochloride
CID 47002154
N,N-dimethyl-N'-{2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl}urea
CID 124212769
3-(2,4-Dimethylpentan-3-yl)-1-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)urea
CID 131932499
4-(1,2,4-Oxadiazol-3-YL)piperidine
CID 53414736
3-(1,2,4-Oxadiazol-3-yl)piperidine
CID 62388811
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106393580
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106396402
N-tert-butyl-N-[(3-fluoropiperidin-4-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 172552262
3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine
CID 18618302
3-(Piperidin-2-yl)-1,2,4-oxadiazole
CID 47002143
3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 51921938

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (CID 106393094) is 1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is CC(NCc1ncon1)C1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The InChIKey is PAVSRQCAWCBQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(10-3-5-15(2)6-4-10)12-7-11-13-8-16-14-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 106393094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).