2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide

C12H17N5O3 — CID 83024874

IUPAC2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide
SMILESNNc1ccc([N+](=O)[O-])cc1C(=O)NN1CCCCC1
InChIInChI=1S/C12H17N5O3/c13-14-11-5-4-9(17(19)20)8-10(11)12(18)15-16-6-2-1-3-7-16/h4-5,8,14H,1-3,6-7,13H2,(H,15,18)
InChIKeyPSDYKIUPUHHLJW-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.01
Rot. Bonds4

About 2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide

2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide (PubChem CID 83024874) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide
PubChem CID83024874
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide
SMILESNNc1ccc([N+](=O)[O-])cc1C(=O)NN1CCCCC1
InChIInChI=1S/C12H17N5O3/c13-14-11-5-4-9(17(19)20)8-10(11)12(18)15-16-6-2-1-3-7-16/h4-5,8,14H,1-3,6-7,13H2,(H,15,18)
InChIKeyPSDYKIUPUHHLJW-UHFFFAOYSA-N
XLogP1.01
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.01
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
4-fluoro-5-hydrazinyl-2-nitro-N-piperidin-1-ylbenzamide
CID 83016957
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide
CID 107189307
5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide
CID 107076391
[2-(azepan-1-ylmethyl)-4-nitrophenyl]hydrazine
CID 62244610
5-nitro-2-(piperidine-1-carbonylamino)benzoic acid
CID 79156697
2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
CID 62241799
2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide
CID 62237807
(2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62247895
4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one
CID 64694171
2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55052407

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide?
The IUPAC name of 2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide (CID 83024874) is 2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide?
The canonical SMILES for 2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide is NNc1ccc([N+](=O)[O-])cc1C(=O)NN1CCCCC1.
What is the InChIKey of 2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide?
The InChIKey is PSDYKIUPUHHLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c13-14-11-5-4-9(17(19)20)8-10(11)12(18)15-16-6-2-1-3-7-16/h4-5,8,14H,1-3,6-7,13H2,(H,15,18).
What are the key properties of 2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide?
2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide has a molecular weight of 279.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 83024874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).