(2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone

C12H16N4O4 — CID 62247895

IUPAC(2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESNNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C12H16N4O4/c13-14-11-4-3-8(16(19)20)6-10(11)12(18)15-5-1-2-9(17)7-15/h3-4,6,9,14,17H,1-2,5,7,13H2
InChIKeyXTHGFUZETPCXOX-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.48
Rot. Bonds3

About (2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone

(2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 62247895) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID62247895
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name(2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESNNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C12H16N4O4/c13-14-11-4-3-8(16(19)20)6-10(11)12(18)15-5-1-2-9(17)7-15/h3-4,6,9,14,17H,1-2,5,7,13H2
InChIKeyXTHGFUZETPCXOX-UHFFFAOYSA-N
XLogP0.48
TPSA121.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

(2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62236217
(2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102971070
(4-fluoro-5-hydrazinyl-2-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62249885
(3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
CID 43393878
(3-hydroxypiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanone
CID 110878627
2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
CID 78837706
(5-amino-4-fluoro-2-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62186321
[3-(methylamino)piperidin-1-yl]-(2-methyl-5-nitrophenyl)methanone
CID 62534652
4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one
CID 64694171
1-(2-chloro-5-nitrobenzoyl)piperidine-3-carboxamide
CID 43082274
(4-chloro-2-nitrophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224582
(3-bromopiperidin-1-yl)-(2-methyl-5-nitrophenyl)methanone
CID 80660382

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone (CID 62247895) is (2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone is NNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is XTHGFUZETPCXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c13-14-11-4-3-8(16(19)20)6-10(11)12(18)15-5-1-2-9(17)7-15/h3-4,6,9,14,17H,1-2,5,7,13H2.
What are the key properties of (2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone?
(2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 280.28 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 62247895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).