2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone

C15H20N2O4 — CID 63970962

IUPAC2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone
SMILESCOCC1CCN(CC(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H20N2O4/c1-21-11-12-6-8-16(9-7-12)10-15(18)13-2-4-14(5-3-13)17(19)20/h2-5,12H,6-11H2,1H3
InChIKeyBTTRPANGVRXGSW-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.14
Rot. Bonds6

About 2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone

2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone (PubChem CID 63970962) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone
PubChem CID63970962
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone
SMILESCOCC1CCN(CC(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H20N2O4/c1-21-11-12-6-8-16(9-7-12)10-15(18)13-2-4-14(5-3-13)17(19)20/h2-5,12H,6-11H2,1H3
InChIKeyBTTRPANGVRXGSW-UHFFFAOYSA-N
XLogP2.14
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-nitrophenyl)-2-(4-propylpiperidin-1-yl)ethanone
CID 62206811
2-[4-(dimethylamino)piperidin-1-yl]-1-(4-nitrophenyl)ethanone
CID 43797267
2-(3-methoxypyrrolidin-1-yl)-1-(4-nitrophenyl)ethanone
CID 103535597
2-[4-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-1-(4-nitrophenyl)ethanone
CID 110830160
1-[2-[4-(methoxymethyl)piperidin-1-yl]-5-nitrophenyl]ethanone
CID 63973481
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-nitrobenzamide
CID 95293738
1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971558
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715
1-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63972910
[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl carbamate
CID 175555428
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597987
2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-nitrobenzoic acid
CID 64596923

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone?
The IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone (CID 63970962) is 2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone.
What is the SMILES notation for 2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone?
The canonical SMILES for 2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone is COCC1CCN(CC(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone?
The InChIKey is BTTRPANGVRXGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-11-12-6-8-16(9-7-12)10-15(18)13-2-4-14(5-3-13)17(19)20/h2-5,12H,6-11H2,1H3.
What are the key properties of 2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone?
2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone has a molecular weight of 292.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)piperidin-1-yl]-1-(4-nitrophenyl)ethanone is sourced from PubChem (CID 63970962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).