4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C27H34N4O4 — CID 54836359

About 4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54836359) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 54836359
• Molecular Formula: C27H34N4O4
• Molecular Weight: 478.59 g/mol
• Exact Mass: 478.26
• IUPAC Name: 4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
• SMILES: CC1CCN(C(=O)c2cccc(NC(=O)CNc3ccc(C(=O)NCC4CCCO4)cc3)c2)CC1
• InChI: InChI=1S/C27H34N4O4/c1-19-11-13-31(14-12-19)27(34)21-4-2-5-23(16-21)30-25(32)18-28-22-9-7-20(8-10-22)26(33)29-17-24-6-3-15-35-24/h2,4-5,7-10,16,19,24,28H,3,6,11-15,17-18H2,1H3,(H,29,33)(H,30,32)
• InChIKey: TYZYSKUJFMEPGA-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.59
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?

The IUPAC name of 4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54836359) is 4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

What is the SMILES notation for 4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?

The canonical SMILES for 4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is CC1CCN(C(=O)c2cccc(NC(=O)CNc3ccc(C(=O)NCC4CCCO4)cc3)c2)CC1.

What is the InChIKey of 4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?

The InChIKey is TYZYSKUJFMEPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-19-11-13-31(14-12-19)27(34)21-4-2-5-23(16-21)30-25(32)18-28-22-9-7-20(8-10-22)26(33)29-17-24-6-3-15-35-24/h2,4-5,7-10,16,19,24,28H,3,6,11-15,17-18H2,1H3,(H,29,33)(H,30,32).

What are the key properties of 4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?

4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 478.59 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54836359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).