2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide

C27H29N5O5 — CID 43854555

About 2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide

2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide (PubChem CID 43854555) has the molecular formula C27H29N5O5 and a molecular weight of 503.56 g/mol. Its IUPAC name is 2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: 2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide
• PubChem CID: 43854555
• Molecular Formula: C27H29N5O5
• Molecular Weight: 503.56 g/mol
• Exact Mass: 503.22
• IUPAC Name: 2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide
• SMILES: O=C(CC1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc2ccccc12
• InChI: InChI=1S/C27H29N5O5/c33-24(29-21-8-3-6-19-5-1-2-7-20(19)21)17-22-26(35)28-10-11-32(22)25(34)18-30-12-14-31(15-13-30)27(36)23-9-4-16-37-23/h1-9,16,22H,10-15,17-18H2,(H,28,35)(H,29,33)
• InChIKey: ZZACIWYJPDNMKQ-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 115.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.56
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide?

The IUPAC name of 2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide (CID 43854555) is 2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide.

What is the SMILES notation for 2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide?

The canonical SMILES for 2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide is O=C(CC1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc2ccccc12.

What is the InChIKey of 2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide?

The InChIKey is ZZACIWYJPDNMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O5/c33-24(29-21-8-3-6-19-5-1-2-7-20(19)21)17-22-26(35)28-10-11-32(22)25(34)18-30-12-14-31(15-13-30)27(36)23-9-4-16-37-23/h1-9,16,22H,10-15,17-18H2,(H,28,35)(H,29,33).

What are the key properties of 2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide?

2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 503.56 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 43854555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).