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

C19H20N2O3 — CID 169211388

IUPAC(4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone
SMILESO=C(N1CCC(Oc2ccccc2)CC1)N1OC1c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-19(21-18(24-21)15-7-3-1-4-8-15)20-13-11-17(12-14-20)23-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyZEIIVBTVWBMHSJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.60
Rot. Bonds3

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

(4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone (PubChem CID 169211388) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone.

Molecular Properties

Compound Name(4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone
PubChem CID169211388
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone
SMILESO=C(N1CCC(Oc2ccccc2)CC1)N1OC1c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-19(21-18(24-21)15-7-3-1-4-8-15)20-13-11-17(12-14-20)23-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyZEIIVBTVWBMHSJ-UHFFFAOYSA-N
XLogP3.60
TPSA45.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone
CID 60859991
(2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone
CID 86833851
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
[(1R,2R)-2-phenylcyclopropyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56643265
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
(4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60858034
2-ethoxy-1-(4-phenoxypiperidin-1-yl)ethanone
CID 61381248
2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858362
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 119290335
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212

Frequently Asked Questions

What is the IUPAC name of (4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone?
The IUPAC name of (4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone (CID 169211388) is (4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone.
What is the SMILES notation for (4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone?
The canonical SMILES for (4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone is O=C(N1CCC(Oc2ccccc2)CC1)N1OC1c1ccccc1.
What is the InChIKey of (4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone?
The InChIKey is ZEIIVBTVWBMHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-19(21-18(24-21)15-7-3-1-4-8-15)20-13-11-17(12-14-20)23-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of (4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone?
(4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone has a molecular weight of 324.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone is sourced from PubChem (CID 169211388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).