N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

C25H27ClN4O3 — CID 46392191

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2nccnc2Oc2cccc(C)c2)CC1
InChIInChI=1S/C25H27ClN4O3/c1-16-5-4-6-19(13-16)33-25-23(27-9-10-28-25)30-11-7-18(8-12-30)24(31)29-21-14-17(2)20(26)15-22(21)32-3/h4-6,9-10,13-15,18H,7-8,11-12H2,1-3H3,(H,29,31)
InChIKeyOCYSLZQFWYSNLJ-UHFFFAOYSA-N
MW466.97 g/mol
LogP5.40
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 46392191) has the molecular formula C25H27ClN4O3 and a molecular weight of 466.97 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID46392191
Molecular FormulaC25H27ClN4O3
Molecular Weight466.97 g/mol
Exact Mass466.18
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2nccnc2Oc2cccc(C)c2)CC1
InChIInChI=1S/C25H27ClN4O3/c1-16-5-4-6-19(13-16)33-25-23(27-9-10-28-25)30-11-7-18(8-12-30)24(31)29-21-14-17(2)20(26)15-22(21)32-3/h4-6,9-10,13-15,18H,7-8,11-12H2,1-3H3,(H,29,31)
InChIKeyOCYSLZQFWYSNLJ-UHFFFAOYSA-N
XLogP5.40
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]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-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834258
N-(3,4-dimethylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834395
N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834326
N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834297
1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 50834252
N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392173
1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 92884014
N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834387
(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92884417
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92884416
N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392125
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108793991

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (CID 46392191) is N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2nccnc2Oc2cccc(C)c2)CC1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is OCYSLZQFWYSNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O3/c1-16-5-4-6-19(13-16)33-25-23(27-9-10-28-25)30-11-7-18(8-12-30)24(31)29-21-14-17(2)20(26)15-22(21)32-3/h4-6,9-10,13-15,18H,7-8,11-12H2,1-3H3,(H,29,31).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 466.97 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46392191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).