N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide

C13H17N3O3 — CID 43708505

IUPACN-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCCN1
InChIInChI=1S/C13H17N3O3/c1-9-8-10(16(18)19)5-6-11(9)15-13(17)12-4-2-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3,(H,15,17)
InChIKeyPESOEAFHLSBFKU-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.98
Rot. Bonds3

About N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide

N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide (PubChem CID 43708505) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
PubChem CID43708505
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCCN1
InChIInChI=1S/C13H17N3O3/c1-9-8-10(16(18)19)5-6-11(9)15-13(17)12-4-2-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3,(H,15,17)
InChIKeyPESOEAFHLSBFKU-UHFFFAOYSA-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'}

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Related Compounds

(2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide
CID 104913764
(2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide
CID 104913032
N-(2-hydroxy-5-nitrophenyl)azepane-2-carboxamide
CID 107744864
(2S)-N-(2-chloro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 61180184
(2R)-N-(2,4-dimethyl-5-nitrophenyl)piperidine-2-carboxamide
CID 104914716
(2S)-N-(4-methyl-2-nitrophenyl)piperidine-2-carboxamide
CID 104913031
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
CID 43712698
(2R)-N-(4-acetamido-3-methylphenyl)piperidine-2-carboxamide
CID 103808431
(2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 104913038
2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide
CID 64824134
(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
CID 106954490

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide (CID 43708505) is N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CCCCN1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide?
The InChIKey is PESOEAFHLSBFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-8-10(16(18)19)5-6-11(9)15-13(17)12-4-2-3-7-14-12/h5-6,8,12,14H,2-4,7H2,1H3,(H,15,17).
What are the key properties of N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide?
N-(2-methyl-4-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 N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 43708505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).