2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide

C16H23N3O4 — CID 46800759

IUPAC2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O4/c1-3-12-6-4-5-9-18(12)11-16(20)17-14-8-7-13(23-2)10-15(14)19(21)22/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,17,20)
InChIKeyOBPYPKONPLBPFZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.81
Rot. Bonds6

About 2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide

2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 46800759) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID46800759
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O4/c1-3-12-6-4-5-9-18(12)11-16(20)17-14-8-7-13(23-2)10-15(14)19(21)22/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,17,20)
InChIKeyOBPYPKONPLBPFZ-UHFFFAOYSA-N
XLogP2.81
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.81
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-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)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

2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
ethyl (3R)-1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533050
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7619684
2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4879335
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4857034
2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
CID 171704776
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide;hydrochloride
CID 120758174
N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 82017375
N-(4-methoxy-2-nitrophenyl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propanamide
CID 55521053
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 11931197
2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2978109
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 46800759) is 2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide is CCC1CCCCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is OBPYPKONPLBPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-3-12-6-4-5-9-18(12)11-16(20)17-14-8-7-13(23-2)10-15(14)19(21)22/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,17,20).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 46800759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).