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

C16H22N4O — CID 71863146

IUPACN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine
SMILESCc1nc(CN(C)C2CCCN(c3ccccc3)C2)no1
InChIInChI=1S/C16H22N4O/c1-13-17-16(18-21-13)12-19(2)15-9-6-10-20(11-15)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3
InChIKeyAOMOMHMJTPRCHO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.48
Rot. Bonds4

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

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine (PubChem CID 71863146) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine
PubChem CID71863146
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine
SMILESCc1nc(CN(C)C2CCCN(c3ccccc3)C2)no1
InChIInChI=1S/C16H22N4O/c1-13-17-16(18-21-13)12-19(2)15-9-6-10-20(11-15)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3
InChIKeyAOMOMHMJTPRCHO-UHFFFAOYSA-N
XLogP2.48
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine (CID 71863146) is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine is Cc1nc(CN(C)C2CCCN(c3ccccc3)C2)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine?
The InChIKey is AOMOMHMJTPRCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-17-16(18-21-13)12-19(2)15-9-6-10-20(11-15)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine?
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpiperidin-3-amine is sourced from PubChem (CID 71863146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).