3-nitro-N-(2-piperidin-3-ylethyl)benzamide

C14H19N3O3 — CID 63628022

IUPAC3-nitro-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c18-14(12-4-1-5-13(9-12)17(19)20)16-8-6-11-3-2-7-15-10-11/h1,4-5,9,11,15H,2-3,6-8,10H2,(H,16,18)
InChIKeyNAKJFFGKORTKDK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.71
Rot. Bonds5

About 3-nitro-N-(2-piperidin-3-ylethyl)benzamide

3-nitro-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 63628022) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-nitro-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID63628022
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-nitro-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c18-14(12-4-1-5-13(9-12)17(19)20)16-8-6-11-3-2-7-15-10-11/h1,4-5,9,11,15H,2-3,6-8,10H2,(H,16,18)
InChIKeyNAKJFFGKORTKDK-UHFFFAOYSA-N
XLogP1.71
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 63628892
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557297
1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide
CID 119557613
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761
3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555759
2-bromo-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63623606
N-(2-piperidin-3-ylethyl)-3-(sulfamoylmethyl)benzamide;hydrochloride
CID 119555848
3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558110
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558574

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 3-nitro-N-(2-piperidin-3-ylethyl)benzamide (CID 63628022) is 3-nitro-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-nitro-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 3-nitro-N-(2-piperidin-3-ylethyl)benzamide is O=C(NCCC1CCCNC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is NAKJFFGKORTKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-14(12-4-1-5-13(9-12)17(19)20)16-8-6-11-3-2-7-15-10-11/h1,4-5,9,11,15H,2-3,6-8,10H2,(H,16,18).
What are the key properties of 3-nitro-N-(2-piperidin-3-ylethyl)benzamide?
3-nitro-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 277.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 63628022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).