(3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

C22H26N4O3S — CID 95117345

About (3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

(3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (PubChem CID 95117345) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is (3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
• PubChem CID: 95117345
• Molecular Formula: C22H26N4O3S
• Molecular Weight: 426.54 g/mol
• Exact Mass: 426.17
• IUPAC Name: (3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
• SMILES: COc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)c(OC)c1
• InChI: InChI=1S/C22H26N4O3S/c1-28-17-8-7-15(19(13-17)29-2)9-11-23-20(27)16-5-4-12-26(14-16)22-25-18-6-3-10-24-21(18)30-22/h3,6-8,10,13,16H,4-5,9,11-12,14H2,1-2H3,(H,23,27)/t16-/m1/s1
• InChIKey: FVUSGGDLJNNGLM-MRXNPFEDSA-N
• XLogP: 3.28
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.54
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?

The IUPAC name of (3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (CID 95117345) is (3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is COc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)c(OC)c1.

What is the InChIKey of (3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?

The InChIKey is FVUSGGDLJNNGLM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-28-17-8-7-15(19(13-17)29-2)9-11-23-20(27)16-5-4-12-26(14-16)22-25-18-6-3-10-24-21(18)30-22/h3,6-8,10,13,16H,4-5,9,11-12,14H2,1-2H3,(H,23,27)/t16-/m1/s1.

What are the key properties of (3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?

(3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95117345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).