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

C13H17N3O3 — CID 114422736

IUPAC4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C13H17N3O3/c1-9-6-7-14-12(8-9)13(17)15-10-2-4-11(5-3-10)16(18)19/h2-5,9,12,14H,6-8H2,1H3,(H,15,17)
InChIKeyVGMFPCWRJXEULE-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.92
Rot. Bonds3

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

4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide (PubChem CID 114422736) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
PubChem CID114422736
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C13H17N3O3/c1-9-6-7-14-12(8-9)13(17)15-10-2-4-11(5-3-10)16(18)19/h2-5,9,12,14H,6-8H2,1H3,(H,15,17)
InChIKeyVGMFPCWRJXEULE-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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

N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422665
(2S)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 121235183
4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
CID 114422593
4-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 114422983
(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 93044428
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide
CID 114422936
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 114424331
(5R)-5-methyl-N-(4-nitrophenyl)pyrrolidine-3-carboxamide
CID 143474550
N-(3,4-dimethoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422606
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423054
4-methyl-N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 114423238
N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide
CID 114423073

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide (CID 114422736) is 4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide is CC1CCNC(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide?
The InChIKey is VGMFPCWRJXEULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-6-7-14-12(8-9)13(17)15-10-2-4-11(5-3-10)16(18)19/h2-5,9,12,14H,6-8H2,1H3,(H,15,17).
What are the key properties of 4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide?
4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 114422736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).