2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide

C20H23N3O4 — CID 141275172

IUPAC2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCN2CCCCC2)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H23N3O4/c24-20(18-6-2-3-7-19(18)23(25)26)21-16-8-10-17(11-9-16)27-15-14-22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-15H2,(H,21,24)
InChIKeyMHCCFZQLTNTSFC-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.71
Rot. Bonds7

About 2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide

2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide (PubChem CID 141275172) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
PubChem CID141275172
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCN2CCCCC2)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H23N3O4/c24-20(18-6-2-3-7-19(18)23(25)26)21-16-8-10-17(11-9-16)27-15-14-22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-15H2,(H,21,24)
InChIKeyMHCCFZQLTNTSFC-UHFFFAOYSA-N
XLogP3.71
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
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-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 925691
N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
CID 17130519
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
2-nitro-5-(2-piperidin-1-ylethoxy)benzoic acid
CID 61102111
N-[4-(2-methylpropoxy)phenyl]-2-nitrobenzamide
CID 4940473
1-[2-nitro-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone
CID 104529862
2-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5181244
2-nitro-N-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]aniline
CID 12052626
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1324756
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2,2,2-trichloroacetamide
CID 100689409
4-chloro-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitrobenzamide
CID 58980869

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide?
The IUPAC name of 2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide (CID 141275172) is 2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide.
What is the SMILES notation for 2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide?
The canonical SMILES for 2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide is O=C(Nc1ccc(OCCN2CCCCC2)cc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide?
The InChIKey is MHCCFZQLTNTSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-20(18-6-2-3-7-19(18)23(25)26)21-16-8-10-17(11-9-16)27-15-14-22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-15H2,(H,21,24).
What are the key properties of 2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide?
2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 141275172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).