1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide

C32H37ClN4O6 — CID 18427530

About 1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide

1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide (PubChem CID 18427530) has the molecular formula C32H37ClN4O6 and a molecular weight of 609.12 g/mol. Its IUPAC name is 1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide
• PubChem CID: 18427530
• Molecular Formula: C32H37ClN4O6
• Molecular Weight: 609.12 g/mol
• Exact Mass: 608.24
• IUPAC Name: 1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide
• SMILES: COc1cc(C(=O)N2COC(CCN3CCC(C(N)=O)(c4cccnc4)CC3)(c3ccc(Cl)cc3)C2)cc(OC)c1OC
• InChI: InChI=1S/C32H37ClN4O6/c1-40-26-17-22(18-27(41-2)28(26)42-3)29(38)37-20-32(43-21-37,23-6-8-25(33)9-7-23)12-16-36-14-10-31(11-15-36,30(34)39)24-5-4-13-35-19-24/h4-9,13,17-19H,10-12,14-16,20-21H2,1-3H3,(H2,34,39)
• InChIKey: YQMDRQNPQZHNDB-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 116.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.12
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide?

The IUPAC name of 1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide (CID 18427530) is 1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide?

The canonical SMILES for 1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide is COc1cc(C(=O)N2COC(CCN3CCC(C(N)=O)(c4cccnc4)CC3)(c3ccc(Cl)cc3)C2)cc(OC)c1OC.

What is the InChIKey of 1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide?

The InChIKey is YQMDRQNPQZHNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClN4O6/c1-40-26-17-22(18-27(41-2)28(26)42-3)29(38)37-20-32(43-21-37,23-6-8-25(33)9-7-23)12-16-36-14-10-31(11-15-36,30(34)39)24-5-4-13-35-19-24/h4-9,13,17-19H,10-12,14-16,20-21H2,1-3H3,(H2,34,39).

What are the key properties of 1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide?

1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide has a molecular weight of 609.12 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 18427530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).