4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide

C13H17N3O4 — CID 47370355

IUPAC4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O4/c1-14-13(18)9-2-3-11(12(8-9)16(19)20)15-6-4-10(17)5-7-15/h2-3,8,10,17H,4-7H2,1H3,(H,14,18)
InChIKeyLSAQFWXIMFYHGC-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.92
Rot. Bonds3

About 4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide

4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide (PubChem CID 47370355) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide
PubChem CID47370355
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O4/c1-14-13(18)9-2-3-11(12(8-9)16(19)20)15-6-4-10(17)5-7-15/h2-3,8,10,17H,4-7H2,1H3,(H,14,18)
InChIKeyLSAQFWXIMFYHGC-UHFFFAOYSA-N
XLogP0.92
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.92
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

4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide
CID 133381220
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-3-nitrobenzamide
CID 78998954
4-(4,4-dimethylazepan-1-yl)-N-methyl-3-nitrobenzamide
CID 133323339
N-methyl-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-3-nitrobenzamide
CID 133315501
N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide
CID 133367068
4-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-methyl-3-nitrobenzamide
CID 133287671
3-(3-hydroxyazetidin-1-yl)-N-methyl-4-nitrobenzamide
CID 82988879
4-(5-azaspiro[2.5]octan-5-yl)-N-methyl-3-nitrobenzamide
CID 133481095
1-(4-benzoyl-2-nitrophenyl)-N-methylpiperidine-4-carboxamide
CID 24567410
4-[(2S,4S)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]-N-methyl-3-nitrobenzamide
CID 124799982
N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide (CID 47370355) is 4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide is CNC(=O)c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide?
The InChIKey is LSAQFWXIMFYHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-14-13(18)9-2-3-11(12(8-9)16(19)20)15-6-4-10(17)5-7-15/h2-3,8,10,17H,4-7H2,1H3,(H,14,18).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide?
4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide has a molecular weight of 279.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 47370355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).