1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one

C12H16N4O3 — CID 62245598

IUPAC1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
SMILESNNc1ccc(CN2CCCCC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c13-14-10-5-4-9(7-11(10)16(18)19)8-15-6-2-1-3-12(15)17/h4-5,7,14H,1-3,6,8,13H2
InChIKeyJPLZDKJRITXRNI-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.39
Rot. Bonds4

About 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one

1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one (PubChem CID 62245598) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
PubChem CID62245598
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
SMILESNNc1ccc(CN2CCCCC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c13-14-10-5-4-9(7-11(10)16(18)19)8-15-6-2-1-3-12(15)17/h4-5,7,14H,1-3,6,8,13H2
InChIKeyJPLZDKJRITXRNI-UHFFFAOYSA-N
XLogP1.39
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[[4-(ethylamino)-3-nitrophenyl]methyl]azepan-2-one
CID 62208003
4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one
CID 79469112
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512786
[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine
CID 62245555
1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 107353187
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol
CID 62246313
[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 83045221
1-[[3-[(4-iodo-2-nitroanilino)methyl]phenyl]methyl]pyrrolidin-2-one
CID 112840708
[4-[(3-methylpiperidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 55051092
methyl 2-nitro-5-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 67528532

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one?
The IUPAC name of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one (CID 62245598) is 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one is NNc1ccc(CN2CCCCC2=O)cc1[N+](=O)[O-].
What is the InChIKey of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one?
The InChIKey is JPLZDKJRITXRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-14-10-5-4-9(7-11(10)16(18)19)8-15-6-2-1-3-12(15)17/h4-5,7,14H,1-3,6,8,13H2.
What are the key properties of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one?
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one has a molecular weight of 264.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 62245598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).