(4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone

C13H15N5O2 — CID 146394213

IUPAC(4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone
SMILES[N-]=[N+]=NC1CCN(C(=O)N2OC2c2ccccc2)CC1
InChIInChI=1S/C13H15N5O2/c14-16-15-11-6-8-17(9-7-11)13(19)18-12(20-18)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyRNXLMRNFNFFWGD-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.83
Rot. Bonds2

About (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone

(4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone (PubChem CID 146394213) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone.

Molecular Properties

Compound Name(4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone
PubChem CID146394213
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name(4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone
SMILES[N-]=[N+]=NC1CCN(C(=O)N2OC2c2ccccc2)CC1
InChIInChI=1S/C13H15N5O2/c14-16-15-11-6-8-17(9-7-11)13(19)18-12(20-18)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyRNXLMRNFNFFWGD-UHFFFAOYSA-N
XLogP2.83
TPSA84.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone?
The IUPAC name of (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone (CID 146394213) is (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone.
What is the SMILES notation for (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone?
The canonical SMILES for (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone is [N-]=[N+]=NC1CCN(C(=O)N2OC2c2ccccc2)CC1.
What is the InChIKey of (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone?
The InChIKey is RNXLMRNFNFFWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-16-15-11-6-8-17(9-7-11)13(19)18-12(20-18)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2.
What are the key properties of (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone?
(4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone has a molecular weight of 273.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone is sourced from PubChem (CID 146394213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).