(2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate

C26H23ClN2O6 — CID 16959488

IUPAC(2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccccc1C1C(C(=O)Oc2ccc([N+](=O)[O-])cc2Cl)CCC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C26H23ClN2O6/c1-16-7-9-17(10-8-16)28-24(30)14-12-20(25(28)19-5-3-4-6-22(19)34-2)26(31)35-23-13-11-18(29(32)33)15-21(23)27/h3-11,13,15,20,25H,12,14H2,1-2H3
InChIKeyKLYJQZIGTCCBIZ-UHFFFAOYSA-N
MW494.93 g/mol
LogP5.66
Rot. Bonds6

About (2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate

(2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 16959488) has the molecular formula C26H23ClN2O6 and a molecular weight of 494.93 g/mol. Its IUPAC name is (2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name(2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID16959488
Molecular FormulaC26H23ClN2O6
Molecular Weight494.93 g/mol
Exact Mass494.12
IUPAC Name(2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccccc1C1C(C(=O)Oc2ccc([N+](=O)[O-])cc2Cl)CCC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C26H23ClN2O6/c1-16-7-9-17(10-8-16)28-24(30)14-12-20(25(28)19-5-3-4-6-22(19)34-2)26(31)35-23-13-11-18(29(32)33)15-21(23)27/h3-11,13,15,20,25H,12,14H2,1-2H3
InChIKeyKLYJQZIGTCCBIZ-UHFFFAOYSA-N
XLogP5.66
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.93
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate 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

(2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 16548560
N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55363325
(2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 40863511
N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 55363435
(2-amino-2-oxoethyl) (2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7953421
N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 43006887
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
N-butyl-N-ethyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 18209297
(2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26011864
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 17482905
N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 16960012
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 46792691

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of (2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate (CID 16959488) is (2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for (2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for (2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate is COc1ccccc1C1C(C(=O)Oc2ccc([N+](=O)[O-])cc2Cl)CCC(=O)N1c1ccc(C)cc1.
What is the InChIKey of (2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is KLYJQZIGTCCBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O6/c1-16-7-9-17(10-8-16)28-24(30)14-12-20(25(28)19-5-3-4-6-22(19)34-2)26(31)35-23-13-11-18(29(32)33)15-21(23)27/h3-11,13,15,20,25H,12,14H2,1-2H3.
What are the key properties of (2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate?
(2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 494.93 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 16959488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).