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

C12H22N4O — CID 55249313

IUPACN-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
SMILESCCCc1noc(CN(C)C2CCCNC2)n1
InChIInChI=1S/C12H22N4O/c1-3-5-11-14-12(17-15-11)9-16(2)10-6-4-7-13-8-10/h10,13H,3-9H2,1-2H3
InChIKeyBUHUAIGCQGAILF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.21
Rot. Bonds5

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

N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine (PubChem CID 55249313) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
PubChem CID55249313
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
SMILESCCCc1noc(CN(C)C2CCCNC2)n1
InChIInChI=1S/C12H22N4O/c1-3-5-11-14-12(17-15-11)9-16(2)10-6-4-7-13-8-10/h10,13H,3-9H2,1-2H3
InChIKeyBUHUAIGCQGAILF-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 63643917
N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 63301786
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride
CID 154889034
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine
CID 43607122
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119923037
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 63636269
N-propyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 63304349
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639764
N-ethyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61230418
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607336
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine?
The IUPAC name of N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine (CID 55249313) is N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine is CCCc1noc(CN(C)C2CCCNC2)n1.
What is the InChIKey of N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine?
The InChIKey is BUHUAIGCQGAILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-5-11-14-12(17-15-11)9-16(2)10-6-4-7-13-8-10/h10,13H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine?
N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 55249313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).