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

C16H28N4O2 — CID 71878604

IUPAC1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine
SMILESCOCCCN(C)C1CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C16H28N4O2/c1-19(8-4-10-21-2)14-5-3-9-20(11-14)12-15-17-16(22-18-15)13-6-7-13/h13-14H,3-12H2,1-2H3
InChIKeyHGXHSMOMEXRGMV-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.88
Rot. Bonds8

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

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine (PubChem CID 71878604) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine
PubChem CID71878604
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine
SMILESCOCCCN(C)C1CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C16H28N4O2/c1-19(8-4-10-21-2)14-5-3-9-20(11-14)12-15-17-16(22-18-15)13-6-7-13/h13-14H,3-12H2,1-2H3
InChIKeyHGXHSMOMEXRGMV-UHFFFAOYSA-N
XLogP1.88
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine?
The IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine (CID 71878604) is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine is COCCCN(C)C1CCCN(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine?
The InChIKey is HGXHSMOMEXRGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-19(8-4-10-21-2)14-5-3-9-20(11-14)12-15-17-16(22-18-15)13-6-7-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine?
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine has a molecular weight of 308.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methoxypropyl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 71878604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).