3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one

C14H18N2O5 — CID 59438435

IUPAC3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one
SMILESCOCOC1CC(c2ccccc2)([N+](=O)[O-])CN(C)C1=O
InChIInChI=1S/C14H18N2O5/c1-15-9-14(16(18)19,11-6-4-3-5-7-11)8-12(13(15)17)21-10-20-2/h3-7,12H,8-10H2,1-2H3
InChIKeyKPIZOLRIKGNBAH-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.01
Rot. Bonds5

About 3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one

3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one (PubChem CID 59438435) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one
PubChem CID59438435
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one
SMILESCOCOC1CC(c2ccccc2)([N+](=O)[O-])CN(C)C1=O
InChIInChI=1S/C14H18N2O5/c1-15-9-14(16(18)19,11-6-4-3-5-7-11)8-12(13(15)17)21-10-20-2/h3-7,12H,8-10H2,1-2H3
InChIKeyKPIZOLRIKGNBAH-UHFFFAOYSA-N
XLogP1.01
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S,5S)-1,3-dimethyl-5-nitro-5-phenylpiperidin-2-one
CID 87467622
3-hydroxy-1-methyl-5-nitro-5-phenylpiperidin-2-one
CID 59438453
(3S,5R)-5-amino-3-methoxy-1-methyl-5-phenylpiperidin-2-one
CID 59438471
1-hydroxy-2-nitro-2-phenylaziridine
CID 141118213
ethyl 2-[4-(2-ethoxy-2-oxoethyl)-6-nitro-6-phenyl-1,4-diazepan-1-yl]acetate
CID 102189054
1-methyl-5-nitro-5-pyridin-4-ylpiperidin-2-one
CID 59438517
6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine
CID 58567903
3-(methoxymethoxy)-1,4-diphenylazetidin-2-one
CID 500118
1-[2-(chloromethyl)-4-methylphenyl]-5-nitro-5-phenylpiperidin-2-one
CID 122472932
1,3,6,8-tetramethyl-8a-(3-nitrophenyl)-4a,5-dihydro-4H-pyrimido[4,5-d]pyrimidine-2,7-dione
CID 66572942
4-ethyl-2-nitro-2-phenylcyclohexan-1-one
CID 156783372
[(5S)-3-methyl-4-oxo-3-azabicyclo[3.1.0]hexan-1-yl]methyl benzoate
CID 177154749

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one?
The IUPAC name of 3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one (CID 59438435) is 3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one.
What is the SMILES notation for 3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one?
The canonical SMILES for 3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one is COCOC1CC(c2ccccc2)([N+](=O)[O-])CN(C)C1=O.
What is the InChIKey of 3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one?
The InChIKey is KPIZOLRIKGNBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-15-9-14(16(18)19,11-6-4-3-5-7-11)8-12(13(15)17)21-10-20-2/h3-7,12H,8-10H2,1-2H3.
What are the key properties of 3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one?
3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one has a molecular weight of 294.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-1-methyl-5-nitro-5-phenylpiperidin-2-one is sourced from PubChem (CID 59438435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).