(2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide

C13H17N3O3 — CID 104913038

IUPAC(2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide
SMILESCc1c(NC(=O)[C@H]2CCCCN2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c1-9-10(6-4-7-12(9)16(18)19)15-13(17)11-5-2-3-8-14-11/h4,6-7,11,14H,2-3,5,8H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyQZKWLWPYASFAFQ-LLVKDONJSA-N
MW263.30 g/mol
LogP1.98
Rot. Bonds3

About (2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide

(2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide (PubChem CID 104913038) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide
PubChem CID104913038
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide
SMILESCc1c(NC(=O)[C@H]2CCCCN2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c1-9-10(6-4-7-12(9)16(18)19)15-13(17)11-5-2-3-8-14-11/h4,6-7,11,14H,2-3,5,8H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyQZKWLWPYASFAFQ-LLVKDONJSA-N
XLogP1.98
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
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 (2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide 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

(2S)-N-[(2-methyl-3-nitrophenyl)methyl]piperidine-2-carboxamide
CID 103109314
(2S)-N-(4-methyl-2-nitrophenyl)piperidine-2-carboxamide
CID 104913031
N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 43708496
(2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide
CID 104914716
2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
CID 79388584
cis-(1S,2R)-2-[(2-methyl-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6920123
cis-(1R,2S)-2-[(2-methyl-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 675791
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
CID 43708505
N-(5-chloro-2-nitrophenyl)azepane-2-carboxamide
CID 64563599
N-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide
CID 81310199
2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9395610

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide (CID 104913038) is (2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide is Cc1c(NC(=O)[C@H]2CCCCN2)cccc1[N+](=O)[O-].
What is the InChIKey of (2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide?
The InChIKey is QZKWLWPYASFAFQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-10(6-4-7-12(9)16(18)19)15-13(17)11-5-2-3-8-14-11/h4,6-7,11,14H,2-3,5,8H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide?
(2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 104913038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).