N-ethyl-3-nitro-N-piperidin-3-ylbenzamide

C14H19N3O3 — CID 63636738

IUPACN-ethyl-3-nitro-N-piperidin-3-ylbenzamide
SMILESCCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCNC1
InChIInChI=1S/C14H19N3O3/c1-2-16(13-7-4-8-15-10-13)14(18)11-5-3-6-12(9-11)17(19)20/h3,5-6,9,13,15H,2,4,7-8,10H2,1H3
InChIKeyDRKYGOADRHRPLV-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.81
Rot. Bonds4

About N-ethyl-3-nitro-N-piperidin-3-ylbenzamide

N-ethyl-3-nitro-N-piperidin-3-ylbenzamide (PubChem CID 63636738) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-ethyl-3-nitro-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-nitro-N-piperidin-3-ylbenzamide
PubChem CID63636738
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-ethyl-3-nitro-N-piperidin-3-ylbenzamide
SMILESCCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCNC1
InChIInChI=1S/C14H19N3O3/c1-2-16(13-7-4-8-15-10-13)14(18)11-5-3-6-12(9-11)17(19)20/h3,5-6,9,13,15H,2,4,7-8,10H2,1H3
InChIKeyDRKYGOADRHRPLV-UHFFFAOYSA-N
XLogP1.81
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-3-nitro-N-piperidin-3-ylbenzamide 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

N-ethyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55203806
3-nitro-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177207
3-nitro-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 66545519
N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide
CID 104783801
4-ethoxy-N-ethyl-N-piperidin-3-ylbenzamide
CID 60807243
N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide
CID 104671440
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
3-[cyclopropyl-(3-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 82326055
N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide
CID 66181460
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide
CID 63637955
N-ethyl-2-oxo-N-piperidin-3-yl-1H-pyridine-3-carboxamide
CID 63636915

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-nitro-N-piperidin-3-ylbenzamide?
The IUPAC name of N-ethyl-3-nitro-N-piperidin-3-ylbenzamide (CID 63636738) is N-ethyl-3-nitro-N-piperidin-3-ylbenzamide.
What is the SMILES notation for N-ethyl-3-nitro-N-piperidin-3-ylbenzamide?
The canonical SMILES for N-ethyl-3-nitro-N-piperidin-3-ylbenzamide is CCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCNC1.
What is the InChIKey of N-ethyl-3-nitro-N-piperidin-3-ylbenzamide?
The InChIKey is DRKYGOADRHRPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-16(13-7-4-8-15-10-13)14(18)11-5-3-6-12(9-11)17(19)20/h3,5-6,9,13,15H,2,4,7-8,10H2,1H3.
What are the key properties of N-ethyl-3-nitro-N-piperidin-3-ylbenzamide?
N-ethyl-3-nitro-N-piperidin-3-ylbenzamide has a molecular weight of 277.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-nitro-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 63636738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).