4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide

C16H22N4O3 — CID 133381220

IUPAC4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(N2CCC(NC3CC3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H22N4O3/c1-17-16(21)11-2-5-14(15(10-11)20(22)23)19-8-6-13(7-9-19)18-12-3-4-12/h2,5,10,12-13,18H,3-4,6-9H2,1H3,(H,17,21)
InChIKeyGFEBJFDYXLIQQT-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.68
Rot. Bonds5

About 4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide

4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide (PubChem CID 133381220) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide
PubChem CID133381220
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(N2CCC(NC3CC3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H22N4O3/c1-17-16(21)11-2-5-14(15(10-11)20(22)23)19-8-6-13(7-9-19)18-12-3-4-12/h2,5,10,12-13,18H,3-4,6-9H2,1H3,(H,17,21)
InChIKeyGFEBJFDYXLIQQT-UHFFFAOYSA-N
XLogP1.68
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.68
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-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide
CID 47370355
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
4-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-methyl-3-nitrobenzamide
CID 133287671
N-cyclopropyl-1-(4-fluoro-2-nitrophenyl)piperidin-4-amine
CID 133381166
N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide
CID 133367068
1-(4-benzoyl-2-nitrophenyl)-N-methylpiperidine-4-carboxamide
CID 24567410
N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159
4-(5-azaspiro[2.5]octan-5-yl)-N-methyl-3-nitrobenzamide
CID 133481095
N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 17404169

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide (CID 133381220) is 4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide is CNC(=O)c1ccc(N2CCC(NC3CC3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide?
The InChIKey is GFEBJFDYXLIQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-17-16(21)11-2-5-14(15(10-11)20(22)23)19-8-6-13(7-9-19)18-12-3-4-12/h2,5,10,12-13,18H,3-4,6-9H2,1H3,(H,17,21).
What are the key properties of 4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide?
4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide has a molecular weight of 318.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 133381220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).