4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide

C13H18N4O3 — CID 115912396

IUPAC4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide
SMILESCc1ccc([N+](=O)[O-])c(NC2CCN(C(N)=O)CC2)c1
InChIInChI=1S/C13H18N4O3/c1-9-2-3-12(17(19)20)11(8-9)15-10-4-6-16(7-5-10)13(14)18/h2-3,8,10,15H,4-7H2,1H3,(H2,14,18)
InChIKeyZDVBEBGPJVKNQS-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.86
Rot. Bonds3

About 4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide

4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide (PubChem CID 115912396) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide
PubChem CID115912396
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide
SMILESCc1ccc([N+](=O)[O-])c(NC2CCN(C(N)=O)CC2)c1
InChIInChI=1S/C13H18N4O3/c1-9-2-3-12(17(19)20)11(8-9)15-10-4-6-16(7-5-10)13(14)18/h2-3,8,10,15H,4-7H2,1H3,(H2,14,18)
InChIKeyZDVBEBGPJVKNQS-UHFFFAOYSA-N
XLogP1.86
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.86
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

4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide
CID 43785542
[4-(4-methyl-2-nitroanilino)piperidin-1-yl]-(4-methylphenyl)methanone
CID 133389526
4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide
CID 43790302
4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide
CID 43785719
tert-butyl 3-(5-methyl-2-nitroanilino)azetidine-1-carboxylate
CID 103748376
3-[(1-methylpiperidin-4-yl)amino]-4-nitrobenzoic acid
CID 82784640
1-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]ethanone
CID 2890856
ethyl 4-[5-[methoxy(methyl)carbamoyl]-2-nitroanilino]piperidine-1-carboxylate
CID 126616999
2,6-dimethyl-N-(5-methyl-2-nitrophenyl)oxan-4-amine
CID 112548558
3-(cyclohexylamino)-4-nitrobenzamide
CID 82994813
4-(5-bromo-2-methylanilino)piperidine-1-carboxamide
CID 43787891
4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
CID 43790791

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide (CID 115912396) is 4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide is Cc1ccc([N+](=O)[O-])c(NC2CCN(C(N)=O)CC2)c1.
What is the InChIKey of 4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide?
The InChIKey is ZDVBEBGPJVKNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9-2-3-12(17(19)20)11(8-9)15-10-4-6-16(7-5-10)13(14)18/h2-3,8,10,15H,4-7H2,1H3,(H2,14,18).
What are the key properties of 4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide?
4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide is sourced from PubChem (CID 115912396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).