(3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide

C21H22N4O5 — CID 96514701

IUPAC(3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1
InChIInChI=1S/C21H22N4O5/c26-20(22-16-6-2-1-3-7-16)15-5-4-10-23(14-15)18-9-8-17(25(28)29)13-19(18)24-11-12-30-21(24)27/h1-3,6-9,13,15H,4-5,10-12,14H2,(H,22,26)/t15-/m1/s1
InChIKeyLKUVAKRFLYILHX-OAHLLOKOSA-N
MW410.43 g/mol
LogP3.41
Rot. Bonds5

About (3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide

(3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 96514701) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is (3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide
PubChem CID96514701
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name(3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1
InChIInChI=1S/C21H22N4O5/c26-20(22-16-6-2-1-3-7-16)15-5-4-10-23(14-15)18-9-8-17(25(28)29)13-19(18)24-11-12-30-21(24)27/h1-3,6-9,13,15H,4-5,10-12,14H2,(H,22,26)/t15-/m1/s1
InChIKeyLKUVAKRFLYILHX-OAHLLOKOSA-N
XLogP3.41
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide 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

1-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]-N-phenylpiperidine-3-carboxamide
CID 42924924
1-(8-nitroisoquinolin-5-yl)-N-phenylpiperidine-3-carboxamide
CID 42926429
(3R)-N-(4-nitrophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866078
1-(3-methyl-5-nitroimidazol-4-yl)-N-phenylpiperidine-3-carboxamide
CID 18125436
1-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)-N-phenylpiperidin-3-amine
CID 133363222
4-nitro-2-[[[(3R)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]methyl]phenolate
CID 9090976
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3S)-1-[2-(4-nitrophenoxy)acetyl]-N-phenylpiperidine-3-carboxamide
CID 25493170
(3R)-1-[(5-nitroindazol-1-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 35976837
3-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 74650206
4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 55502038
(3R)-1-[4-nitro-2-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid
CID 51984220

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide (CID 96514701) is (3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1.
What is the InChIKey of (3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is LKUVAKRFLYILHX-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N4O5/c26-20(22-16-6-2-1-3-7-16)15-5-4-10-23(14-15)18-9-8-17(25(28)29)13-19(18)24-11-12-30-21(24)27/h1-3,6-9,13,15H,4-5,10-12,14H2,(H,22,26)/t15-/m1/s1.
What are the key properties of (3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide?
(3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-nitro-2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 96514701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).