N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

C25H27ClN4O4 — CID 46392173

IUPACN-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2CCN(c3nccnc3Oc3ccccc3C)CC2)c(OC)c1
InChIInChI=1S/C25H27ClN4O4/c1-16-6-4-5-7-20(16)34-25-23(27-10-11-28-25)30-12-8-17(9-13-30)24(31)29-22-19(26)14-18(32-2)15-21(22)33-3/h4-7,10-11,14-15,17H,8-9,12-13H2,1-3H3,(H,29,31)
InChIKeyDGNIGNMIRHFPDR-UHFFFAOYSA-N
MW482.97 g/mol
LogP5.10
Rot. Bonds7

About N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 46392173) has the molecular formula C25H27ClN4O4 and a molecular weight of 482.97 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID46392173
Molecular FormulaC25H27ClN4O4
Molecular Weight482.97 g/mol
Exact Mass482.17
IUPAC NameN-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2CCN(c3nccnc3Oc3ccccc3C)CC2)c(OC)c1
InChIInChI=1S/C25H27ClN4O4/c1-16-6-4-5-7-20(16)34-25-23(27-10-11-28-25)30-12-8-17(9-13-30)24(31)29-22-19(26)14-18(32-2)15-21(22)33-3/h4-7,10-11,14-15,17H,8-9,12-13H2,1-3H3,(H,29,31)
InChIKeyDGNIGNMIRHFPDR-UHFFFAOYSA-N
XLogP5.10
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.97
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392191
N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834258
N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834387
N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392098
N-(3,4-dimethylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834395
N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53102048
N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834661
N-(3-ethylphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834418
N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223156
(3R)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 95050506
(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897328

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (CID 46392173) is N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is COc1cc(Cl)c(NC(=O)C2CCN(c3nccnc3Oc3ccccc3C)CC2)c(OC)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is DGNIGNMIRHFPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O4/c1-16-6-4-5-7-20(16)34-25-23(27-10-11-28-25)30-12-8-17(9-13-30)24(31)29-22-19(26)14-18(32-2)15-21(22)33-3/h4-7,10-11,14-15,17H,8-9,12-13H2,1-3H3,(H,29,31).
What are the key properties of N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 482.97 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46392173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).