N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide

C26H36N4O6 — CID 24891317

About N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide

N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide (PubChem CID 24891317) has the molecular formula C26H36N4O6 and a molecular weight of 500.60 g/mol. Its IUPAC name is N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide
• PubChem CID: 24891317
• Molecular Formula: C26H36N4O6
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.26
• IUPAC Name: N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide
• SMILES: COCCN1CCN(c2ccc(C(=O)NC3(C(=O)N4C[C@H](O)[C@H]5OCC(=O)[C@H]54)CCCC3)cc2)CC1
• InChI: InChI=1S/C26H36N4O6/c1-35-15-14-28-10-12-29(13-11-28)19-6-4-18(5-7-19)24(33)27-26(8-2-3-9-26)25(34)30-16-20(31)23-22(30)21(32)17-36-23/h4-7,20,22-23,31H,2-3,8-17H2,1H3,(H,27,33)/t20-,22+,23+/m0/s1
• InChIKey: JLWFYACHAYWIIY-MDNUFGMLSA-N
• XLogP: 0.04
• TPSA: 111.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	0.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide?

The IUPAC name of N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide (CID 24891317) is N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide.

What is the SMILES notation for N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide?

The canonical SMILES for N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide is COCCN1CCN(c2ccc(C(=O)NC3(C(=O)N4C[C@H](O)[C@H]5OCC(=O)[C@H]54)CCCC3)cc2)CC1.

What is the InChIKey of N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide?

The InChIKey is JLWFYACHAYWIIY-MDNUFGMLSA-N. The full InChI is InChI=1S/C26H36N4O6/c1-35-15-14-28-10-12-29(13-11-28)19-6-4-18(5-7-19)24(33)27-26(8-2-3-9-26)25(34)30-16-20(31)23-22(30)21(32)17-36-23/h4-7,20,22-23,31H,2-3,8-17H2,1H3,(H,27,33)/t20-,22+,23+/m0/s1.

What are the key properties of N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide?

N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide has a molecular weight of 500.60 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 24891317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).