N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine

C17H24N4O — CID 119138278

IUPACN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C17H24N4O/c1-13(18-15-8-10-21(2)11-9-15)17-19-16(20-22-17)12-14-6-4-3-5-7-14/h3-7,13,15,18H,8-12H2,1-2H3
InChIKeyANJFSMRTHFLMNW-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.41
Rot. Bonds5

About N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine

N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine (PubChem CID 119138278) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine
PubChem CID119138278
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C17H24N4O/c1-13(18-15-8-10-21(2)11-9-15)17-19-16(20-22-17)12-14-6-4-3-5-7-14/h3-7,13,15,18H,8-12H2,1-2H3
InChIKeyANJFSMRTHFLMNW-UHFFFAOYSA-N
XLogP2.41
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine (CID 119138278) is N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine is CC(NC1CCN(C)CC1)c1nc(Cc2ccccc2)no1.
What is the InChIKey of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine?
The InChIKey is ANJFSMRTHFLMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13(18-15-8-10-21(2)11-9-15)17-19-16(20-22-17)12-14-6-4-3-5-7-14/h3-7,13,15,18H,8-12H2,1-2H3.
What are the key properties of N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine?
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 119138278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).