(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone

C13H16N2O2 — CID 146394668

IUPAC(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1OC1c1ccccc1
InChIInChI=1S/C13H16N2O2/c16-13(14-9-5-2-6-10-14)15-12(17-15)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyQIQSSADLCQPLNY-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.54
Rot. Bonds1

About (3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone

(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone (PubChem CID 146394668) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone
PubChem CID146394668
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1OC1c1ccccc1
InChIInChI=1S/C13H16N2O2/c16-13(14-9-5-2-6-10-14)15-12(17-15)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyQIQSSADLCQPLNY-UHFFFAOYSA-N
XLogP2.54
TPSA35.85 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone (CID 146394668) is (3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1OC1c1ccccc1.
What is the InChIKey of (3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone?
The InChIKey is QIQSSADLCQPLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(14-9-5-2-6-10-14)15-12(17-15)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of (3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone?
(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone has a molecular weight of 232.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 146394668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).