(2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone

C19H20N2O4 — CID 7697246

IUPAC(2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C([C@@H](Oc1ccccc1[N+](=O)[O-])c1ccccc1)N1CCCCC1
InChIInChI=1S/C19H20N2O4/c22-19(20-13-7-2-8-14-20)18(15-9-3-1-4-10-15)25-17-12-6-5-11-16(17)21(23)24/h1,3-6,9-12,18H,2,7-8,13-14H2/t18-/m0/s1
InChIKeyDWJKXXBDUNCSRW-SFHVURJKSA-N
MW340.38 g/mol
LogP3.73
Rot. Bonds5

About (2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone

(2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone (PubChem CID 7697246) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name(2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone
PubChem CID7697246
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C([C@@H](Oc1ccccc1[N+](=O)[O-])c1ccccc1)N1CCCCC1
InChIInChI=1S/C19H20N2O4/c22-19(20-13-7-2-8-14-20)18(15-9-3-1-4-10-15)25-17-12-6-5-11-16(17)21(23)24/h1,3-6,9-12,18H,2,7-8,13-14H2/t18-/m0/s1
InChIKeyDWJKXXBDUNCSRW-SFHVURJKSA-N
XLogP3.73
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
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'}

Analyze (2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2-nitro-3-pyridinyl)oxy]-2-phenyl-1-piperidin-1-ylethanone
CID 40657752
2-(2-nitrophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 4943757
2-(2-nitrophenoxy)-1-[4-[2-(2-nitrophenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981274
(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone
CID 7697331
(2R)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 40520630
2-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy]benzamide
CID 8001851
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 51210306
(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7700726
(2S)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7700724
(2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone
CID 40657737
(2R)-2-(4-bromo-2-chlorophenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 7700719

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone?
The IUPAC name of (2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone (CID 7697246) is (2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone.
What is the SMILES notation for (2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone?
The canonical SMILES for (2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone is O=C([C@@H](Oc1ccccc1[N+](=O)[O-])c1ccccc1)N1CCCCC1.
What is the InChIKey of (2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone?
The InChIKey is DWJKXXBDUNCSRW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-19(20-13-7-2-8-14-20)18(15-9-3-1-4-10-15)25-17-12-6-5-11-16(17)21(23)24/h1,3-6,9-12,18H,2,7-8,13-14H2/t18-/m0/s1.
What are the key properties of (2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone?
(2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone has a molecular weight of 340.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 7697246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).