1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone

C16H30N2O2 — CID 159598255

IUPAC1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)N1CCC(C)(CC(=O)C2(N)CCOCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-13(2)18-8-4-15(3,5-9-18)12-14(19)16(17)6-10-20-11-7-16/h13H,4-12,17H2,1-3H3
InChIKeyUAIUPROZXRMDGY-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.96
Rot. Bonds4

About 1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone

1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone (PubChem CID 159598255) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone
PubChem CID159598255
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)N1CCC(C)(CC(=O)C2(N)CCOCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-13(2)18-8-4-15(3,5-9-18)12-14(19)16(17)6-10-20-11-7-16/h13H,4-12,17H2,1-3H3
InChIKeyUAIUPROZXRMDGY-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone (CID 159598255) is 1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone is CC(C)N1CCC(C)(CC(=O)C2(N)CCOCC2)CC1.
What is the InChIKey of 1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone?
The InChIKey is UAIUPROZXRMDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)18-8-4-15(3,5-9-18)12-14(19)16(17)6-10-20-11-7-16/h13H,4-12,17H2,1-3H3.
What are the key properties of 1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone?
1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone has a molecular weight of 282.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxan-4-yl)-2-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 159598255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).