(2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

C26H24ClNO5 — CID 16548560

IUPAC(2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(N2C(=O)CCC(C(=O)Oc3ccccc3Cl)C2c2ccccc2OC)cc1
InChIInChI=1S/C26H24ClNO5/c1-31-18-13-11-17(12-14-18)28-24(29)16-15-20(25(28)19-7-3-5-9-22(19)32-2)26(30)33-23-10-6-4-8-21(23)27/h3-14,20,25H,15-16H2,1-2H3
InChIKeyINJRCAOMPFTDMX-UHFFFAOYSA-N
MW465.93 g/mol
LogP5.45
Rot. Bonds6

About (2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

(2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 16548560) has the molecular formula C26H24ClNO5 and a molecular weight of 465.93 g/mol. Its IUPAC name is (2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID16548560
Molecular FormulaC26H24ClNO5
Molecular Weight465.93 g/mol
Exact Mass465.13
IUPAC Name(2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(N2C(=O)CCC(C(=O)Oc3ccccc3Cl)C2c2ccccc2OC)cc1
InChIInChI=1S/C26H24ClNO5/c1-31-18-13-11-17(12-14-18)28-24(29)16-15-20(25(28)19-7-3-5-9-22(19)32-2)26(30)33-23-10-6-4-8-21(23)27/h3-14,20,25H,15-16H2,1-2H3
InChIKeyINJRCAOMPFTDMX-UHFFFAOYSA-N
XLogP5.45
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.93
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
(2-amino-2-oxoethyl) (2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7953421
(2-chloro-4-nitrophenyl) 2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate
CID 16959488
(2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 46792674
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 46792691
N,N-diethyl-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43006134
(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 40863526
N-cyclopentyl-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 112802703
N-(4-acetylphenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42999456
(2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250930
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250931
N-(1-cyclopropylethyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55385087

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of (2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 16548560) is (2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for (2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for (2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is COc1ccc(N2C(=O)CCC(C(=O)Oc3ccccc3Cl)C2c2ccccc2OC)cc1.
What is the InChIKey of (2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is INJRCAOMPFTDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO5/c1-31-18-13-11-17(12-14-18)28-24(29)16-15-20(25(28)19-7-3-5-9-22(19)32-2)26(30)33-23-10-6-4-8-21(23)27/h3-14,20,25H,15-16H2,1-2H3.
What are the key properties of (2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
(2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 465.93 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 16548560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).