2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide

C13H17N3O3 — CID 3456969

IUPAC2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H17N3O3/c1-10-4-2-3-9-15(10)13(17)14-11-5-7-12(8-6-11)16(18)19/h5-8,10H,2-4,9H2,1H3,(H,14,17)
InChIKeyYSBCQYOQISUINO-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.00
Rot. Bonds2

About 2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide

2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide (PubChem CID 3456969) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide
PubChem CID3456969
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H17N3O3/c1-10-4-2-3-9-15(10)13(17)14-11-5-7-12(8-6-11)16(18)19/h5-8,10H,2-4,9H2,1H3,(H,14,17)
InChIKeyYSBCQYOQISUINO-UHFFFAOYSA-N
XLogP3.00
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8583375
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514
2-(methylaminomethyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 115316419
(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
CID 90883663
2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134086224
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(4-nitrophenyl)urea
CID 39388369
2-(2-ethylpiperidin-1-yl)-N-(4-nitrophenyl)-2-oxoacetamide
CID 108513142
(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide
CID 51944453
(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
CID 1474768
N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide
CID 86805735
(2S)-N-(4-nitrophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079719
1-(2-methylpiperidin-1-yl)-2-(4-nitrophenyl)sulfanylpropan-1-one
CID 78790966

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide?
The IUPAC name of 2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide (CID 3456969) is 2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide is CC1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide?
The InChIKey is YSBCQYOQISUINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-10-4-2-3-9-15(10)13(17)14-11-5-7-12(8-6-11)16(18)19/h5-8,10H,2-4,9H2,1H3,(H,14,17).
What are the key properties of 2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide?
2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 3456969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).