N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide

C14H19N3O3 — CID 43602153

IUPACN,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide
SMILESCc1cccc([N+](=O)[O-])c1C(=O)N(C)C1CCNCC1
InChIInChI=1S/C14H19N3O3/c1-10-4-3-5-12(17(19)20)13(10)14(18)16(2)11-6-8-15-9-7-11/h3-5,11,15H,6-9H2,1-2H3
InChIKeyUOKNEAQMHNTDII-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.73
Rot. Bonds3

About N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide

N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide (PubChem CID 43602153) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide
PubChem CID43602153
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide
SMILESCc1cccc([N+](=O)[O-])c1C(=O)N(C)C1CCNCC1
InChIInChI=1S/C14H19N3O3/c1-10-4-3-5-12(17(19)20)13(10)14(18)16(2)11-6-8-15-9-7-11/h3-5,11,15H,6-9H2,1-2H3
InChIKeyUOKNEAQMHNTDII-UHFFFAOYSA-N
XLogP1.73
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.73
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'}

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Related Compounds

N-(azepan-4-yl)-N,2-dimethyl-6-nitrobenzamide
CID 107172581
N-(azepan-4-yl)-N,3-dimethyl-2-nitrobenzamide
CID 107172411
2,6-dimethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602191
5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443365
5-chloro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide
CID 43602217
N-(3-bromopropyl)-N-cyclobutyl-2-methyl-6-nitrobenzamide
CID 102872397
2,6-difluoro-N,3-dimethyl-N-piperidin-4-ylbenzamide
CID 82816537
2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide
CID 107122608
N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119442473
N-methyl-N-(2-nitrophenyl)piperidin-4-amine
CID 171544363
N,2-dimethyl-3-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965866
N-methyl-5-nitro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
CID 119443414

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide?
The IUPAC name of N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide (CID 43602153) is N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide.
What is the SMILES notation for N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide?
The canonical SMILES for N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide is Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C1CCNCC1.
What is the InChIKey of N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide?
The InChIKey is UOKNEAQMHNTDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-4-3-5-12(17(19)20)13(10)14(18)16(2)11-6-8-15-9-7-11/h3-5,11,15H,6-9H2,1-2H3.
What are the key properties of N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide?
N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide has a molecular weight of 277.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 43602153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).