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

C15H28N4O — CID 63849645

IUPACN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1noc(CN2CCC(CNCC(C)C)CC2)n1
InChIInChI=1S/C15H28N4O/c1-4-14-17-15(20-18-14)11-19-7-5-13(6-8-19)10-16-9-12(2)3/h12-13,16H,4-11H2,1-3H3
InChIKeyFDVRYLWXYRGUJT-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.09
Rot. Bonds7

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

N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63849645) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID63849645
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1noc(CN2CCC(CNCC(C)C)CC2)n1
InChIInChI=1S/C15H28N4O/c1-4-14-17-15(20-18-14)11-19-7-5-13(6-8-19)10-16-9-12(2)3/h12-13,16H,4-11H2,1-3H3
InChIKeyFDVRYLWXYRGUJT-UHFFFAOYSA-N
XLogP2.09
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928186
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927948
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63847714
2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 63903585
2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 63847274
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 63847810
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 112640915
N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 80546709
N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 119923360
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 86773957
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol
CID 111489691

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine (CID 63849645) is N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine is CCc1noc(CN2CCC(CNCC(C)C)CC2)n1.
What is the InChIKey of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is FDVRYLWXYRGUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-14-17-15(20-18-14)11-19-7-5-13(6-8-19)10-16-9-12(2)3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63849645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).