1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

C28H30N2O5 — CID 55345936

IUPAC1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(=O)N(c3ccc(OC)cc3)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H30N2O5/c1-33-22-10-4-19(5-11-22)18-29-28(32)25-16-17-26(31)30(21-8-14-24(35-3)15-9-21)27(25)20-6-12-23(34-2)13-7-20/h4-15,25,27H,16-18H2,1-3H3,(H,29,32)
InChIKeyRYDDGTRJWQTXHY-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.51
Rot. Bonds8

About 1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 55345936) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is 1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID55345936
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Name1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(=O)N(c3ccc(OC)cc3)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H30N2O5/c1-33-22-10-4-19(5-11-22)18-29-28(32)25-16-17-26(31)30(21-8-14-24(35-3)15-9-21)27(25)20-6-12-23(34-2)13-7-20/h4-15,25,27H,16-18H2,1-3H3,(H,29,32)
InChIKeyRYDDGTRJWQTXHY-UHFFFAOYSA-N
XLogP4.51
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26917847
N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42989394
N-cyclopentyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43007439
N-(3-aminopropyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 119408864
N-cyclohexyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 15993815
N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112767965
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 22421992
(2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 92653033
1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 55596931
1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
(2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 26252939
(2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 98186464

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 55345936) is 1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is COc1ccc(CNC(=O)C2CCC(=O)N(c3ccc(OC)cc3)C2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is RYDDGTRJWQTXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-33-22-10-4-19(5-11-22)18-29-28(32)25-16-17-26(31)30(21-8-14-24(35-3)15-9-21)27(25)20-6-12-23(34-2)13-7-20/h4-15,25,27H,16-18H2,1-3H3,(H,29,32).
What are the key properties of 1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 55345936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).