1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide

C27H28N2O4 — CID 43020518

IUPAC1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)N(C)c3ccccc3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H28N2O4/c1-28(20-7-5-4-6-8-20)27(31)24-17-18-25(30)29(21-11-15-23(33-3)16-12-21)26(24)19-9-13-22(32-2)14-10-19/h4-16,24,26H,17-18H2,1-3H3
InChIKeyOHPCAXGMGQTOJN-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.85
Rot. Bonds6

About 1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide

1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide (PubChem CID 43020518) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is 1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
PubChem CID43020518
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)N(C)c3ccccc3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H28N2O4/c1-28(20-7-5-4-6-8-20)27(31)24-17-18-25(30)29(21-11-15-23(33-3)16-12-21)26(24)19-9-13-22(32-2)14-10-19/h4-16,24,26H,17-18H2,1-3H3
InChIKeyOHPCAXGMGQTOJN-UHFFFAOYSA-N
XLogP4.85
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320532
(2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 9398550
N-cyclopentyl-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 112802703
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
N,N-diethyl-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43006134
1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 55345936
N-cyclopentyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43007439
(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one
CID 41207711
N-cyclohexyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 15993815
1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3244527
6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 53298050

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide (CID 43020518) is 1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide is COc1ccc(C2C(C(=O)N(C)c3ccccc3)CCC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide?
The InChIKey is OHPCAXGMGQTOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-28(20-7-5-4-6-8-20)27(31)24-17-18-25(30)29(21-11-15-23(33-3)16-12-21)26(24)19-9-13-22(32-2)14-10-19/h4-16,24,26H,17-18H2,1-3H3.
What are the key properties of 1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide?
1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide has a molecular weight of 444.53 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methoxyphenyl)-N-methyl-6-oxo-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 43020518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).