(2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide

C14H19N3O3 — CID 104914716

IUPAC(2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCCN1
InChIInChI=1S/C14H19N3O3/c1-9-7-10(2)13(17(19)20)8-12(9)16-14(18)11-5-3-4-6-15-11/h7-8,11,15H,3-6H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyCOBRHCNLQOFSPS-LLVKDONJSA-N
MW277.32 g/mol
LogP2.29
Rot. Bonds3

About (2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide

(2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide (PubChem CID 104914716) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide
PubChem CID104914716
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCCN1
InChIInChI=1S/C14H19N3O3/c1-9-7-10(2)13(17(19)20)8-12(9)16-14(18)11-5-3-4-6-15-11/h7-8,11,15H,3-6H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyCOBRHCNLQOFSPS-LLVKDONJSA-N
XLogP2.29
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.29
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-(2,4-dimethyl-5-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-(4-methyl-2-nitrophenyl)piperidine-2-carboxamide
CID 104913031
N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
CID 43708505
N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide
CID 107068565
N-(2,4-dimethyl-5-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 104757731
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
(2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 104913038
(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
CID 106954490
N-(2,4-dimethyl-5-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 104757751
N-(5-chloro-2-nitrophenyl)azepane-2-carboxamide
CID 64563599
(2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 104900585
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
N-(2,5-dimethyl-4-nitrophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 103145458

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide (CID 104914716) is (2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide is Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide?
The InChIKey is COBRHCNLQOFSPS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-7-10(2)13(17(19)20)8-12(9)16-14(18)11-5-3-4-6-15-11/h7-8,11,15H,3-6H2,1-2H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide?
(2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 104914716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).