2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one

C13H22N4O2 — CID 106416090

IUPAC2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nc(CCNC(C)C(=O)N2CCCCC2)no1
InChIInChI=1S/C13H22N4O2/c1-10(13(18)17-8-4-3-5-9-17)14-7-6-12-15-11(2)19-16-12/h10,14H,3-9H2,1-2H3
InChIKeyWGXFZNCCAACHOP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.91
Rot. Bonds5

About 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one

2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 106416090) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID106416090
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nc(CCNC(C)C(=O)N2CCCCC2)no1
InChIInChI=1S/C13H22N4O2/c1-10(13(18)17-8-4-3-5-9-17)14-7-6-12-15-11(2)19-16-12/h10,14H,3-9H2,1-2H3
InChIKeyWGXFZNCCAACHOP-UHFFFAOYSA-N
XLogP0.91
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-one
CID 54903759
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 113225005
(3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106420517
2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid
CID 106416017
2-[2-(3,5-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62306110
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
CID 155944479
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
1-(azepan-1-yl)-2-[2-(3-methylphenyl)ethylamino]propan-1-one
CID 62313384
methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 103952281
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397981
2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106419572
2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083640

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one (CID 106416090) is 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one is Cc1nc(CCNC(C)C(=O)N2CCCCC2)no1.
What is the InChIKey of 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is WGXFZNCCAACHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(13(18)17-8-4-3-5-9-17)14-7-6-12-15-11(2)19-16-12/h10,14H,3-9H2,1-2H3.
What are the key properties of 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one?
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 266.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 106416090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).