3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione

C12H15N5O4 — CID 80924745

IUPAC3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2cc(NN)cc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C12H15N5O4/c1-16-11(18)3-2-10(12(16)19)14-7-4-8(15-13)6-9(5-7)17(20)21/h4-6,10,14-15H,2-3,13H2,1H3
InChIKeyQRJHGTYKIWMCOY-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.44
Rot. Bonds4

About 3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione

3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione (PubChem CID 80924745) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione
PubChem CID80924745
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2cc(NN)cc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C12H15N5O4/c1-16-11(18)3-2-10(12(16)19)14-7-4-8(15-13)6-9(5-7)17(20)21/h4-6,10,14-15H,2-3,13H2,1H3
InChIKeyQRJHGTYKIWMCOY-UHFFFAOYSA-N
XLogP0.44
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-methyl-3-[3-(methylamino)-5-nitroanilino]piperidine-2,6-dione
CID 80832510
N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine
CID 80901769
4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3-nitrobenzaldehyde
CID 83095490
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80924688
N-(3-hydrazinyl-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 80904139
N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine
CID 80914766
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80921244
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80938094
3-(4-acetyl-3-aminoanilino)-1-methylpiperidine-2,6-dione
CID 104528971
N-(3-hydrazinyl-5-nitrophenyl)-1,1-dioxothian-3-amine
CID 80912856
N-(3-hydrazinyl-5-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80926792
3-hydrazinyl-5-nitro-N-propan-2-ylaniline
CID 80932452

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione (CID 80924745) is 3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(Nc2cc(NN)cc([N+](=O)[O-])c2)C1=O.
What is the InChIKey of 3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione?
The InChIKey is QRJHGTYKIWMCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-16-11(18)3-2-10(12(16)19)14-7-4-8(15-13)6-9(5-7)17(20)21/h4-6,10,14-15H,2-3,13H2,1H3.
What are the key properties of 3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione?
3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione has a molecular weight of 293.28 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydrazinyl-5-nitroanilino)-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 80924745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).