2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C12H23N3O2 — CID 71196964

IUPAC2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESNOCC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C12H23N3O2/c13-17-10-12(16)15-8-4-11(5-9-15)14-6-2-1-3-7-14/h11H,1-10,13H2
InChIKeyIGGPWZQVQIXDPP-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.35
Rot. Bonds3

About 2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 71196964) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID71196964
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESNOCC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C12H23N3O2/c13-17-10-12(16)15-8-4-11(5-9-15)14-6-2-1-3-7-14/h11H,1-10,13H2
InChIKeyIGGPWZQVQIXDPP-UHFFFAOYSA-N
XLogP0.35
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 54874227
2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone
CID 83967675
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate
CID 79349412
2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868491
4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 51090889
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818
ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 142232731
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
5-oxo-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pentanoic acid
CID 54916584
2-(4-aminophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 119842927

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 71196964) is 2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is NOCC(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is IGGPWZQVQIXDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-17-10-12(16)15-8-4-11(5-9-15)14-6-2-1-3-7-14/h11H,1-10,13H2.
What are the key properties of 2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 241.33 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 71196964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).