5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one

C32H34Cl2N2O6 — CID 166346092

IUPAC5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(N2C(=O)CCC(C(=O)N3CCCC(Oc4ccc(Cl)c(Cl)c4)C3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C32H34Cl2N2O6/c1-39-22-9-7-21(8-10-22)36-30(37)15-12-25(31(36)20-6-14-28(40-2)29(17-20)41-3)32(38)35-16-4-5-24(19-35)42-23-11-13-26(33)27(34)18-23/h6-11,13-14,17-18,24-25,31H,4-5,12,15-16,19H2,1-3H3
InChIKeyHFGLFHPMCBZZDE-UHFFFAOYSA-N
MW613.54 g/mol
LogP6.57
Rot. Bonds8

About 5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one

5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one (PubChem CID 166346092) has the molecular formula C32H34Cl2N2O6 and a molecular weight of 613.54 g/mol. Its IUPAC name is 5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one
PubChem CID166346092
Molecular FormulaC32H34Cl2N2O6
Molecular Weight613.54 g/mol
Exact Mass612.18
IUPAC Name5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(N2C(=O)CCC(C(=O)N3CCCC(Oc4ccc(Cl)c(Cl)c4)C3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C32H34Cl2N2O6/c1-39-22-9-7-21(8-10-22)36-30(37)15-12-25(31(36)20-6-14-28(40-2)29(17-20)41-3)32(38)35-16-4-5-24(19-35)42-23-11-13-26(33)27(34)18-23/h6-11,13-14,17-18,24-25,31H,4-5,12,15-16,19H2,1-3H3
InChIKeyHFGLFHPMCBZZDE-UHFFFAOYSA-N
XLogP6.57
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.54
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one with MolForge

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Related Compounds

(5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
CID 25476275
5-[4-[1-(3-chlorophenyl)cyclopropyl]piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one
CID 166354099
6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 53298050
(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one
CID 41207711
(2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 92654016
5-[4-(3-bromophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one
CID 166345572
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-6-oxopiperidine-3-carboxamide
CID 42917796
(2S,3S)-2-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 94850280
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 22421992
1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one
CID 15997008
6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one
CID 22422028
N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46506178

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one?
The IUPAC name of 5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one (CID 166346092) is 5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for 5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one?
The canonical SMILES for 5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one is COc1ccc(N2C(=O)CCC(C(=O)N3CCCC(Oc4ccc(Cl)c(Cl)c4)C3)C2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one?
The InChIKey is HFGLFHPMCBZZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34Cl2N2O6/c1-39-22-9-7-21(8-10-22)36-30(37)15-12-25(31(36)20-6-14-28(40-2)29(17-20)41-3)32(38)35-16-4-5-24(19-35)42-23-11-13-26(33)27(34)18-23/h6-11,13-14,17-18,24-25,31H,4-5,12,15-16,19H2,1-3H3.
What are the key properties of 5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one?
5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one has a molecular weight of 613.54 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 166346092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).