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

C12H22N4O — CID 114185670

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
SMILESCc1nc(CCNCC2CCCN(C)C2)no1
InChIInChI=1S/C12H22N4O/c1-10-14-12(15-17-10)5-6-13-8-11-4-3-7-16(2)9-11/h11,13H,3-9H2,1-2H3
InChIKeyNJBQPNJEGDNVBG-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.85
Rot. Bonds5

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

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine (PubChem CID 114185670) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
PubChem CID114185670
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
SMILESCc1nc(CCNCC2CCCN(C)C2)no1
InChIInChI=1S/C12H22N4O/c1-10-14-12(15-17-10)5-6-13-8-11-4-3-7-16(2)9-11/h11,13H,3-9H2,1-2H3
InChIKeyNJBQPNJEGDNVBG-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 103746439
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 55256456
N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 106418274
5-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]oxolane-2-carboxylic acid
CID 114186494
N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541
2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 62656306
3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106423465
(3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106420517
2-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847441
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106025406
N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 106418270

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine (CID 114185670) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine is Cc1nc(CCNCC2CCCN(C)C2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is NJBQPNJEGDNVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-14-12(15-17-10)5-6-13-8-11-4-3-7-16(2)9-11/h11,13H,3-9H2,1-2H3.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 114185670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).