N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide

C20H26ClN3O5 — CID 25486961

About N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide (PubChem CID 25486961) has the molecular formula C20H26ClN3O5 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide
• PubChem CID: 25486961
• Molecular Formula: C20H26ClN3O5
• Molecular Weight: 423.90 g/mol
• Exact Mass: 423.16
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide
• SMILES: COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CN2CCOC2=O)C1
• InChI: InChI=1S/C20H26ClN3O5/c1-28-17-6-5-15(21)11-16(17)22-18(25)7-4-14-3-2-8-23(12-14)19(26)13-24-9-10-29-20(24)27/h5-6,11,14H,2-4,7-10,12-13H2,1H3,(H,22,25)/t14-/m1/s1
• InChIKey: FISVYJLNBYLLLB-CQSZACIVSA-N
• XLogP: 2.76
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.90
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide (CID 25486961) is N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide is COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CN2CCOC2=O)C1.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide?

The InChIKey is FISVYJLNBYLLLB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26ClN3O5/c1-28-17-6-5-15(21)11-16(17)22-18(25)7-4-14-3-2-8-23(12-14)19(26)13-24-9-10-29-20(24)27/h5-6,11,14H,2-4,7-10,12-13H2,1H3,(H,22,25)/t14-/m1/s1.

What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide?

N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide has a molecular weight of 423.90 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 25486961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).