4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide

C13H18N4O3 — CID 43785542

IUPAC4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide
SMILESCc1ccc(NC2CCN(C(N)=O)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N4O3/c1-9-2-3-11(8-12(9)17(19)20)15-10-4-6-16(7-5-10)13(14)18/h2-3,8,10,15H,4-7H2,1H3,(H2,14,18)
InChIKeyDIOSWXQWTPOELF-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.86
Rot. Bonds3

About 4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide

4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide (PubChem CID 43785542) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide
PubChem CID43785542
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide
SMILESCc1ccc(NC2CCN(C(N)=O)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N4O3/c1-9-2-3-11(8-12(9)17(19)20)15-10-4-6-16(7-5-10)13(14)18/h2-3,8,10,15H,4-7H2,1H3,(H2,14,18)
InChIKeyDIOSWXQWTPOELF-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-fluoro-3-nitroanilino)piperidine-1-carboxamide
CID 43785719
4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide
CID 107700221
4-(5-methyl-2-nitroanilino)piperidine-1-carboxamide
CID 115912396
1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine
CID 62912816
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 119562505
1-[(3R)-3-(3-methyl-4-nitroanilino)pyrrolidin-1-yl]propan-1-one
CID 125131332
1-[(3S)-3-(3-methyl-4-nitroanilino)pyrrolidin-1-yl]propan-1-one
CID 125131333
4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
CID 43784539
4-(5-bromo-2-methylanilino)piperidine-1-carboxamide
CID 43787891
1-N-(4-methyl-3-nitrophenyl)cyclopentane-1,2-diamine
CID 63252271
4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide
CID 43758136
4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
CID 43790791

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide (CID 43785542) is 4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide is Cc1ccc(NC2CCN(C(N)=O)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide?
The InChIKey is DIOSWXQWTPOELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9-2-3-11(8-12(9)17(19)20)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-(4-methyl-3-nitroanilino)piperidine-1-carboxamide?
4-(4-methyl-3-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-(4-methyl-3-nitroanilino)piperidine-1-carboxamide is sourced from PubChem (CID 43785542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).