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

C15H28N4O — CID 106632738

IUPACN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1noc(CC(C)C)n1)CC1CCCCN1
InChIInChI=1S/C15H28N4O/c1-4-19(10-13-7-5-6-8-16-13)11-14-17-15(20-18-14)9-12(2)3/h12-13,16H,4-11H2,1-3H3
InChIKeyGRSCIMTUGXWVGN-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.23
Rot. Bonds7

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

N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106632738) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106632738
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1noc(CC(C)C)n1)CC1CCCCN1
InChIInChI=1S/C15H28N4O/c1-4-19(10-13-7-5-6-8-16-13)11-14-17-15(20-18-14)9-12(2)3/h12-13,16H,4-11H2,1-3H3
InChIKeyGRSCIMTUGXWVGN-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 106636093
N-(piperidin-2-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine
CID 106635960
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615842
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-morpholin-3-ylacetamide
CID 56884486
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride
CID 154889034
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622509
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine (CID 106632738) is N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine is CCN(Cc1noc(CC(C)C)n1)CC1CCCCN1.
What is the InChIKey of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is GRSCIMTUGXWVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-19(10-13-7-5-6-8-16-13)11-14-17-15(20-18-14)9-12(2)3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine?
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 280.42 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106632738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).