(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide

C25H27ClN4O4 — CID 92884416

IUPAC(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccc(C)cc3)C2)cc1Cl
InChIInChI=1S/C25H27ClN4O4/c1-16-6-8-18(9-7-16)34-25-23(27-10-11-28-25)30-12-4-5-17(15-30)24(31)29-20-13-19(26)21(32-2)14-22(20)33-3/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H,29,31)/t17-/m1/s1
InChIKeyGHFRJQLGGLYVSS-QGZVFWFLSA-N
MW482.97 g/mol
LogP5.10
Rot. Bonds7

About (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide

(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 92884416) has the molecular formula C25H27ClN4O4 and a molecular weight of 482.97 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
PubChem CID92884416
Molecular FormulaC25H27ClN4O4
Molecular Weight482.97 g/mol
Exact Mass482.17
IUPAC Name(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccc(C)cc3)C2)cc1Cl
InChIInChI=1S/C25H27ClN4O4/c1-16-6-8-18(9-7-16)34-25-23(27-10-11-28-25)30-12-4-5-17(15-30)24(31)29-20-13-19(26)21(32-2)14-22(20)33-3/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H,29,31)/t17-/m1/s1
InChIKeyGHFRJQLGGLYVSS-QGZVFWFLSA-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

(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92884417
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050455
N-(4-fluoro-2-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 50835943
(3R)-N-(4-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050387
(3R)-N-(4-bromo-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92884432
(3R)-N-(3-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050385
(3R)-N-[(2-chlorophenyl)methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050375
(3R)-N-(4-ethylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050382
(3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897300
1-[3-(4-methylphenoxy)pyrazin-2-yl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 50836078
(3S)-N-[(3-chlorophenyl)methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050366
(3S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95092374

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (CID 92884416) is (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is COc1cc(OC)c(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccc(C)cc3)C2)cc1Cl.
What is the InChIKey of (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
The InChIKey is GHFRJQLGGLYVSS-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27ClN4O4/c1-16-6-8-18(9-7-16)34-25-23(27-10-11-28-25)30-12-4-5-17(15-30)24(31)29-20-13-19(26)21(32-2)14-22(20)33-3/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H,29,31)/t17-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-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 (3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92884416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).