N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide

C17H25N3O4 — CID 51164344

IUPACN-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide
SMILESCC(C)(CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCCCC1
InChIInChI=1S/C17H25N3O4/c1-17(2,19-10-6-3-7-11-19)13-18-16(21)12-24-15-9-5-4-8-14(15)20(22)23/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,18,21)
InChIKeyKUXAQSQMZUXXKU-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.35
Rot. Bonds7

About N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide

N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 51164344) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide
PubChem CID51164344
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide
SMILESCC(C)(CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCCCC1
InChIInChI=1S/C17H25N3O4/c1-17(2,19-10-6-3-7-11-19)13-18-16(21)12-24-15-9-5-4-8-14(15)20(22)23/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,18,21)
InChIKeyKUXAQSQMZUXXKU-UHFFFAOYSA-N
XLogP2.35
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.35
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 N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)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

2,2-dimethyl-3-[[2-(2-nitrophenoxy)acetyl]amino]propanoic acid
CID 115427230
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-nitrophenoxy)acetamide
CID 42387340
3-(2-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 51164305
N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-nitrophenoxy)acetamide
CID 62520470
2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 25162858
N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 115668936
2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 717198
N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500531
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-nitrophenoxy)acetamide
CID 43005744
N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide
CID 47439210

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide (CID 51164344) is N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide is CC(C)(CNC(=O)COc1ccccc1[N+](=O)[O-])N1CCCCC1.
What is the InChIKey of N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is KUXAQSQMZUXXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-17(2,19-10-6-3-7-11-19)13-18-16(21)12-24-15-9-5-4-8-14(15)20(22)23/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,18,21).
What are the key properties of N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide?
N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 335.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-piperidin-1-ylpropyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 51164344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).