N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide

C28H35N3O6 — CID 5006435

About N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide (PubChem CID 5006435) has the molecular formula C28H35N3O6 and a molecular weight of 509.60 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
• PubChem CID: 5006435
• Molecular Formula: C28H35N3O6
• Molecular Weight: 509.60 g/mol
• Exact Mass: 509.25
• IUPAC Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
• SMILES: COc1ccc(NC(=O)N2CCC(N3CC(COc4ccccc4)OC3=O)CC2)cc1OC1CCCC1
• InChI: InChI=1S/C28H35N3O6/c1-34-25-12-11-20(17-26(25)36-23-9-5-6-10-23)29-27(32)30-15-13-21(14-16-30)31-18-24(37-28(31)33)19-35-22-7-3-2-4-8-22/h2-4,7-8,11-12,17,21,23-24H,5-6,9-10,13-16,18-19H2,1H3,(H,29,32)
• InChIKey: ZKQKGYZKZDUKGW-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 89.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.60
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide?

The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide (CID 5006435) is N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide?

The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(N3CC(COc4ccccc4)OC3=O)CC2)cc1OC1CCCC1.

What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide?

The InChIKey is ZKQKGYZKZDUKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O6/c1-34-25-12-11-20(17-26(25)36-23-9-5-6-10-23)29-27(32)30-15-13-21(14-16-30)31-18-24(37-28(31)33)19-35-22-7-3-2-4-8-22/h2-4,7-8,11-12,17,21,23-24H,5-6,9-10,13-16,18-19H2,1H3,(H,29,32).

What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide?

N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 509.60 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 5006435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).