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

C12H20N4O — CID 54595428

IUPAC1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C12H20N4O/c1-13-10-3-2-6-16(7-10)8-11-14-12(17-15-11)9-4-5-9/h9-10,13H,2-8H2,1H3
InChIKeyVNPQDMOAZXOFDM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.13
Rot. Bonds4

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

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine (PubChem CID 54595428) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
PubChem CID54595428
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C12H20N4O/c1-13-10-3-2-6-16(7-10)8-11-14-12(17-15-11)9-4-5-9/h9-10,13H,2-8H2,1H3
InChIKeyVNPQDMOAZXOFDM-UHFFFAOYSA-N
XLogP1.13
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine (CID 54595428) is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine is CNC1CCCN(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is VNPQDMOAZXOFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-10-3-2-6-16(7-10)8-11-14-12(17-15-11)9-4-5-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine?
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 236.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 54595428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).