1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide

C26H33FN2O4 — CID 46523381

IUPAC1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)N(C)Cc2ccc(OC)c(F)c2)C1c1ccccc1OC
InChIInChI=1S/C26H33FN2O4/c1-5-6-15-29-24(30)14-12-20(25(29)19-9-7-8-10-22(19)32-3)26(31)28(2)17-18-11-13-23(33-4)21(27)16-18/h7-11,13,16,20,25H,5-6,12,14-15,17H2,1-4H3
InChIKeyPUDVIJNYCFPHNE-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.58
Rot. Bonds9

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

1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 46523381) has the molecular formula C26H33FN2O4 and a molecular weight of 456.56 g/mol. Its IUPAC name is 1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID46523381
Molecular FormulaC26H33FN2O4
Molecular Weight456.56 g/mol
Exact Mass456.24
IUPAC Name1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)N(C)Cc2ccc(OC)c(F)c2)C1c1ccccc1OC
InChIInChI=1S/C26H33FN2O4/c1-5-6-15-29-24(30)14-12-20(25(29)19-9-7-8-10-22(19)32-3)26(31)28(2)17-18-11-13-23(33-4)21(27)16-18/h7-11,13,16,20,25H,5-6,12,14-15,17H2,1-4H3
InChIKeyPUDVIJNYCFPHNE-UHFFFAOYSA-N
XLogP4.58
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

AC-90179
CID 9799308
(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
CID 99794612
1-Ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 2803369
2-(3-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-4-methoxyphenyl)-N,N-dimethyl-2-oxoacetamide
CID 20626145
3-[(6R)-6-(4-fluorophenyl)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
CID 58109574
6-(2-Ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69080992
6-(2,6-Dimethoxyphenyl)-3-methyl-1-(4-(trifluoromethoxy)benzyl)piperidin-2-one
CID 69081642
6-(2,6-Dimethoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)piperidin-2-one
CID 69081717
6-(2,6-Dimethoxyphenyl)-1-(1-(4-(trifluoromethoxy)phenyl)ethyl)piperidin-2-one
CID 69081821
6-(2-Methoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)piperidin-2-one
CID 69082267
6-(2-Methoxy-6-methylphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69082473
6-(2-Fluoro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69083745

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide (CID 46523381) is 1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide is CCCCN1C(=O)CCC(C(=O)N(C)Cc2ccc(OC)c(F)c2)C1c1ccccc1OC.
What is the InChIKey of 1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is PUDVIJNYCFPHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O4/c1-5-6-15-29-24(30)14-12-20(25(29)19-9-7-8-10-22(19)32-3)26(31)28(2)17-18-11-13-23(33-4)21(27)16-18/h7-11,13,16,20,25H,5-6,12,14-15,17H2,1-4H3.
What are the key properties of 1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide?
1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 456.56 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 46523381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).