N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide

C20H23N3O3 — CID 2225138

IUPACN-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c24-20(14-17-8-4-5-9-19(17)23(25)26)21-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,21,24)
InChIKeyTZOIMAXWWXASDX-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.92
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide (PubChem CID 2225138) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide
PubChem CID2225138
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c24-20(14-17-8-4-5-9-19(17)23(25)26)21-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,21,24)
InChIKeyTZOIMAXWWXASDX-UHFFFAOYSA-N
XLogP2.92
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide (CID 2225138) is N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide?
The InChIKey is TZOIMAXWWXASDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(14-17-8-4-5-9-19(17)23(25)26)21-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,21,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 2225138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).