7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C17H21N3O3 — CID 169211424

IUPAC7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)N3OC3c3ccccc3)C2)C1=O
InChIInChI=1S/C17H21N3O3/c1-18-10-5-8-17(15(18)21)9-11-19(12-17)16(22)20-14(23-20)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyIDGQFVHRUCJYIE-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.00
Rot. Bonds1

About 7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 169211424) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID169211424
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)N3OC3c3ccccc3)C2)C1=O
InChIInChI=1S/C17H21N3O3/c1-18-10-5-8-17(15(18)21)9-11-19(12-17)16(22)20-14(23-20)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyIDGQFVHRUCJYIE-UHFFFAOYSA-N
XLogP2.00
TPSA56.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.00
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

7-methyl-2-(1-phenylcyclopentanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907513
2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone
CID 169211324
7-methyl-2-(2-morpholin-4-ylbenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922576
(5R)-N-(2-cyclopropylphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97453368
1-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-morpholin-4-ylethane-1,2-dione
CID 95221755
7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922240
7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 56755645
(5S)-7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 95221008
2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45232149
(5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42291921
7-methyl-2-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56741799
(5R)-7-methyl-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95201542

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 169211424) is 7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(C(=O)N3OC3c3ccccc3)C2)C1=O.
What is the InChIKey of 7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is IDGQFVHRUCJYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-18-10-5-8-17(15(18)21)9-11-19(12-17)16(22)20-14(23-20)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3.
What are the key properties of 7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 315.37 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 169211424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).