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

C25H27ClN4O4 — CID 92884417

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

(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 92884417) has the molecular formula C25H27ClN4O4 and a molecular weight of 482.97 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
• PubChem CID: 92884417
• Molecular Formula: C25H27ClN4O4
• Molecular Weight: 482.97 g/mol
• Exact Mass: 482.17
• IUPAC Name: (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
• SMILES: COc1cc(OC)c(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccc(C)cc3)C2)cc1Cl
• InChI: 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-/m0/s1
• InChIKey: GHFRJQLGGLYVSS-KRWDZBQOSA-N
• XLogP: 5.10
• TPSA: 85.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.97
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (CID 92884417) is (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-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 (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?

The InChIKey is GHFRJQLGGLYVSS-KRWDZBQOSA-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-/m0/s1.

What are the key properties of (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?

(3S)-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 (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92884417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).