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

C19H21N3O3 — CID 60566297

IUPAC2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O3/c23-19(14-15-6-4-5-9-18(15)22(24)25)20-16-10-12-21(13-11-16)17-7-2-1-3-8-17/h1-9,16H,10-14H2,(H,20,23)
InChIKeyMKBGEIKVECMOFR-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.92
Rot. Bonds5

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

2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide (PubChem CID 60566297) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
PubChem CID60566297
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O3/c23-19(14-15-6-4-5-9-18(15)22(24)25)20-16-10-12-21(13-11-16)17-7-2-1-3-8-17/h1-9,16H,10-14H2,(H,20,23)
InChIKeyMKBGEIKVECMOFR-UHFFFAOYSA-N
XLogP2.92
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
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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Related Compounds

2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 43064994
2-(2-fluorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735879
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide
CID 94795717
2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099902
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-nitrophenyl)acetamide
CID 16606697
4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide
CID 86830350
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
N-[1-(4-hydroxyphenyl)piperidin-4-yl]-2-phenylacetamide
CID 171351771
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
2-(3,4-dichlorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566359
1-cyclohexyl-3-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]urea
CID 47070677
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-[(2-nitrophenyl)methyl]guanidine;hydroiodide
CID 109388658

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide (CID 60566297) is 2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide?
The InChIKey is MKBGEIKVECMOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-19(14-15-6-4-5-9-18(15)22(24)25)20-16-10-12-21(13-11-16)17-7-2-1-3-8-17/h1-9,16H,10-14H2,(H,20,23).
What are the key properties of 2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide?
2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide has a molecular weight of 339.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide is sourced from PubChem (CID 60566297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).