4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione

C14H17N3O4 — CID 79497407

IUPAC4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione
SMILESCNc1ccc(CN2C(=O)CC(C)CC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O4/c1-9-5-13(18)16(14(19)6-9)8-10-3-4-11(15-2)12(7-10)17(20)21/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyLWFRCUZADKBYEK-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.92
Rot. Bonds4

About 4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione

4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione (PubChem CID 79497407) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione
PubChem CID79497407
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione
SMILESCNc1ccc(CN2C(=O)CC(C)CC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O4/c1-9-5-13(18)16(14(19)6-9)8-10-3-4-11(15-2)12(7-10)17(20)21/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyLWFRCUZADKBYEK-UHFFFAOYSA-N
XLogP1.92
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(4-amino-3-nitrophenyl)methyl]-4-methylpiperidine-2,6-dione
CID 79506167
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-N-methyl-2-nitroaniline
CID 79184018
1-methyl-3-[[4-(methylamino)-3-nitrophenyl]methyl]imidazolidin-2-one
CID 62492393
N,N,4-trimethyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]pyrrolidin-3-amine
CID 81464111
3-methyl-4-[[4-(methylamino)-3-nitrophenyl]methyl]piperazine-2,6-dione
CID 66075833
N-methyl-4-[(3-methylmorpholin-4-yl)methyl]-2-nitroaniline
CID 62182937
N-methyl-4-[(4-methylcyclohexyl)oxymethyl]-2-nitroaniline
CID 62194630
N-methyl-2-nitro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline
CID 62183827
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512786
4-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-N-methyl-2-nitroaniline
CID 84593954
[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]methanol
CID 62208427
N-methyl-4-[(2-methylcyclohexyl)oxymethyl]-2-nitroaniline
CID 62193038

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione?
The IUPAC name of 4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione (CID 79497407) is 4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione.
What is the SMILES notation for 4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione?
The canonical SMILES for 4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione is CNc1ccc(CN2C(=O)CC(C)CC2=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione?
The InChIKey is LWFRCUZADKBYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9-5-13(18)16(14(19)6-9)8-10-3-4-11(15-2)12(7-10)17(20)21/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of 4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione?
4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione has a molecular weight of 291.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 79497407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).