(4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone

C12H13N3O4 — CID 24697162

IUPAC(4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone
SMILESO=C(c1ccccc1[N+](=O)[O-])N1CCC(=NO)CC1
InChIInChI=1S/C12H13N3O4/c16-12(14-7-5-9(13-17)6-8-14)10-3-1-2-4-11(10)15(18)19/h1-4,17H,5-8H2
InChIKeyQAHNFBRVBMFPRR-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.66
Rot. Bonds2

About (4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone

(4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone (PubChem CID 24697162) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is (4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone.

Molecular Properties

Compound Name(4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone
PubChem CID24697162
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name(4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone
SMILESO=C(c1ccccc1[N+](=O)[O-])N1CCC(=NO)CC1
InChIInChI=1S/C12H13N3O4/c16-12(14-7-5-9(13-17)6-8-14)10-3-1-2-4-11(10)15(18)19/h1-4,17H,5-8H2
InChIKeyQAHNFBRVBMFPRR-UHFFFAOYSA-N
XLogP1.66
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-nitrobenzoyl)piperidin-4-one
CID 24694101
(2-nitrophenyl)-piperazin-1-ylmethanone;piperazine
CID 174837455
(2,5-difluoro-3-nitrophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 107122468
(3,4-dihydroxypyrrolidin-1-yl)-(2-nitrophenyl)methanone
CID 106671114
(2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 114343719
(4-benzylpiperazin-1-yl)-(2-nitrophenyl)methanone;hydrochloride
CID 171150760
(4-methylsulfonylpiperidin-1-yl)-(2-nitrophenyl)methanone
CID 90585114
(4-hydroxyiminopiperidin-1-yl)-(3-methoxy-4-nitrophenyl)methanone
CID 104783452
(2-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16546256
(3-bromopiperidin-1-yl)-(2-nitrophenyl)methanone
CID 80660570
[4-(3-chlorophenyl)piperazin-1-yl]-(2-nitrophenyl)methanone
CID 739922
6-(2-nitrobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175382

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone?
The IUPAC name of (4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone (CID 24697162) is (4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone.
What is the SMILES notation for (4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone?
The canonical SMILES for (4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone is O=C(c1ccccc1[N+](=O)[O-])N1CCC(=NO)CC1.
What is the InChIKey of (4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone?
The InChIKey is QAHNFBRVBMFPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-12(14-7-5-9(13-17)6-8-14)10-3-1-2-4-11(10)15(18)19/h1-4,17H,5-8H2.
What are the key properties of (4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone?
(4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone has a molecular weight of 263.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone is sourced from PubChem (CID 24697162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).