N-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine

C19H28N4O2 — CID 86786866

IUPACN-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine
SMILESCOCc1noc(-c2cccc(NC3CCN(C(C)C)CC3)c2C)n1
InChIInChI=1S/C19H28N4O2/c1-13(2)23-10-8-15(9-11-23)20-17-7-5-6-16(14(17)3)19-21-18(12-24-4)22-25-19/h5-7,13,15,20H,8-12H2,1-4H3
InChIKeyRUFVWGVEINBJMX-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.48
Rot. Bonds6

About N-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine

N-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 86786866) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID86786866
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine
SMILESCOCc1noc(-c2cccc(NC3CCN(C(C)C)CC3)c2C)n1
InChIInChI=1S/C19H28N4O2/c1-13(2)23-10-8-15(9-11-23)20-17-7-5-6-16(14(17)3)19-21-18(12-24-4)22-25-19/h5-7,13,15,20H,8-12H2,1-4H3
InChIKeyRUFVWGVEINBJMX-UHFFFAOYSA-N
XLogP3.48
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine (CID 86786866) is N-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine is COCc1noc(-c2cccc(NC3CCN(C(C)C)CC3)c2C)n1.
What is the InChIKey of N-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is RUFVWGVEINBJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(2)23-10-8-15(9-11-23)20-17-7-5-6-16(14(17)3)19-21-18(12-24-4)22-25-19/h5-7,13,15,20H,8-12H2,1-4H3.
What are the key properties of N-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine?
N-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 344.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 86786866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).