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

C18H24N4O — CID 146121498

IUPAC1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine
SMILESCc1cccc(NC2CCN(Cc3nc(C4CC4)no3)CC2)c1
InChIInChI=1S/C18H24N4O/c1-13-3-2-4-16(11-13)19-15-7-9-22(10-8-15)12-17-20-18(21-23-17)14-5-6-14/h2-4,11,14-15,19H,5-10,12H2,1H3
InChIKeyURBRXOKQLFHRJA-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.33
Rot. Bonds5

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

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine (PubChem CID 146121498) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine
PubChem CID146121498
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine
SMILESCc1cccc(NC2CCN(Cc3nc(C4CC4)no3)CC2)c1
InChIInChI=1S/C18H24N4O/c1-13-3-2-4-16(11-13)19-15-7-9-22(10-8-15)12-17-20-18(21-23-17)14-5-6-14/h2-4,11,14-15,19H,5-10,12H2,1H3
InChIKeyURBRXOKQLFHRJA-UHFFFAOYSA-N
XLogP3.33
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine (CID 146121498) is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine is Cc1cccc(NC2CCN(Cc3nc(C4CC4)no3)CC2)c1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine?
The InChIKey is URBRXOKQLFHRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-3-2-4-16(11-13)19-15-7-9-22(10-8-15)12-17-20-18(21-23-17)14-5-6-14/h2-4,11,14-15,19H,5-10,12H2,1H3.
What are the key properties of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine?
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 146121498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).