2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide

C14H19N3O4 — CID 103800178

IUPAC2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide
SMILESCN1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2O)CC1
InChIInChI=1S/C14H19N3O4/c1-16-7-5-10(6-8-16)9-15-14(19)11-3-2-4-12(13(11)18)17(20)21/h2-4,10,18H,5-9H2,1H3,(H,15,19)
InChIKeySREAIMYKXYBCSQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.37
Rot. Bonds4

About 2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide

2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide (PubChem CID 103800178) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide
PubChem CID103800178
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide
SMILESCN1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2O)CC1
InChIInChI=1S/C14H19N3O4/c1-16-7-5-10(6-8-16)9-15-14(19)11-3-2-4-12(13(11)18)17(20)21/h2-4,10,18H,5-9H2,1H3,(H,15,19)
InChIKeySREAIMYKXYBCSQ-UHFFFAOYSA-N
XLogP1.37
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-3-nitrobenzamide
CID 115930947
2-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitrobenzamide
CID 103800126
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide
CID 103800166
2-hydroxy-N-(1-methylpyrrolidin-3-yl)-3-nitrobenzamide
CID 103800110
2-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide
CID 102741652
2-chloro-N-(cyclobutylmethyl)-3-nitrobenzamide
CID 112576276
N-[3-(cyclopropylmethoxy)propyl]-2-hydroxy-3-nitrobenzamide
CID 103746319
3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661754
2-hydroxy-3-nitro-N-prop-2-ynylbenzamide
CID 103746299
N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937120
3-fluoro-2-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-hydroxy-3-nitrobenzamide
CID 99628312

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide?
The IUPAC name of 2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide (CID 103800178) is 2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide.
What is the SMILES notation for 2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide?
The canonical SMILES for 2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide is CN1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2O)CC1.
What is the InChIKey of 2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide?
The InChIKey is SREAIMYKXYBCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16-7-5-10(6-8-16)9-15-14(19)11-3-2-4-12(13(11)18)17(20)21/h2-4,10,18H,5-9H2,1H3,(H,15,19).
What are the key properties of 2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide?
2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1-methylpiperidin-4-yl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 103800178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).