1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide

C20H26N4O4 — CID 23609091

IUPAC1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cc(CNC(=O)C2CCN(c3cnccn3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H26N4O4/c1-26-16-10-14(11-17(27-2)19(16)28-3)12-23-20(25)15-4-8-24(9-5-15)18-13-21-6-7-22-18/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3,(H,23,25)
InChIKeyLNJULTYZJHAGJI-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.04
Rot. Bonds7

About 1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide

1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 23609091) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID23609091
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cc(CNC(=O)C2CCN(c3cnccn3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H26N4O4/c1-26-16-10-14(11-17(27-2)19(16)28-3)12-23-20(25)15-4-8-24(9-5-15)18-13-21-6-7-22-18/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3,(H,23,25)
InChIKeyLNJULTYZJHAGJI-UHFFFAOYSA-N
XLogP2.04
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
CID 90510918
N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136578446
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134053537
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134007284
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38793437
1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 55712011
N-(4-fluoro-2-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33284913
1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46573508
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792432
1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46775352

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide (CID 23609091) is 1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide is COc1cc(CNC(=O)C2CCN(c3cnccn3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is LNJULTYZJHAGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-26-16-10-14(11-17(27-2)19(16)28-3)12-23-20(25)15-4-8-24(9-5-15)18-13-21-6-7-22-18/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3,(H,23,25).
What are the key properties of 1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 23609091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).