2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide

C14H19N3O4 — CID 133355928

IUPAC2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide
SMILESCOc1cc(N2CCCC(CC(N)=O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-21-13-8-11(4-5-12(13)17(19)20)16-6-2-3-10(9-16)7-14(15)18/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,15,18)
InChIKeyNLYLCUBVZSDOOS-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.70
Rot. Bonds5

About 2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide

2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide (PubChem CID 133355928) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide
PubChem CID133355928
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide
SMILESCOc1cc(N2CCCC(CC(N)=O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-21-13-8-11(4-5-12(13)17(19)20)16-6-2-3-10(9-16)7-14(15)18/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,15,18)
InChIKeyNLYLCUBVZSDOOS-UHFFFAOYSA-N
XLogP1.70
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
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-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide 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

(3S)-1-(3-methoxy-4-nitrophenyl)pyrrolidin-3-ol
CID 71301761
methyl 2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]-2-methylpropanoate
CID 133444504
1-(3-methoxy-4-nitrophenyl)azetidin-3-amine
CID 65249752
2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355845
1-(3-ethoxy-4-nitrophenyl)piperidin-3-amine
CID 63671363
5-[3-(methoxymethyl)piperidin-1-yl]-2-nitroaniline
CID 106751923
2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355894
1-[2-(hydroxymethyl)-4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]ethanone
CID 68592928
2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide
CID 133341822
3-(3-methoxy-4-nitrophenyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 75374166
(3R,4R)-3-fluoro-1-(3-methoxy-4-nitrophenyl)piperidin-4-amine
CID 140575133
1-(3-methoxy-4-nitrophenyl)-3-methylpiperidine-3-carboxylic acid
CID 63670396

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide (CID 133355928) is 2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide is COc1cc(N2CCCC(CC(N)=O)C2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide?
The InChIKey is NLYLCUBVZSDOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-13-8-11(4-5-12(13)17(19)20)16-6-2-3-10(9-16)7-14(15)18/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,15,18).
What are the key properties of 2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide?
2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide has a molecular weight of 293.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 133355928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).