N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide

C26H36N4O5 — CID 143609144

About N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide

N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide (PubChem CID 143609144) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide
• PubChem CID: 143609144
• Molecular Formula: C26H36N4O5
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.27
• IUPAC Name: N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide
• SMILES: CCN1CCN(c2ccc(C(=O)NC3(C(=O)N4C[C@@H](OC)[C@H]5OCC(=O)[C@H]54)CCCC3)cc2)CC1
• InChI: InChI=1S/C26H36N4O5/c1-3-28-12-14-29(15-13-28)19-8-6-18(7-9-19)24(32)27-26(10-4-5-11-26)25(33)30-16-21(34-2)23-22(30)20(31)17-35-23/h6-9,21-23H,3-5,10-17H2,1-2H3,(H,27,32)/t21-,22-,23-/m1/s1
• InChIKey: PFJHCGXWUHEWOK-DNVJHFABSA-N
• XLogP: 1.06
• TPSA: 91.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide (CID 143609144) is N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide.

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

The canonical SMILES for N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide is CCN1CCN(c2ccc(C(=O)NC3(C(=O)N4C[C@@H](OC)[C@H]5OCC(=O)[C@H]54)CCCC3)cc2)CC1.

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

The InChIKey is PFJHCGXWUHEWOK-DNVJHFABSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-3-28-12-14-29(15-13-28)19-8-6-18(7-9-19)24(32)27-26(10-4-5-11-26)25(33)30-16-21(34-2)23-22(30)20(31)17-35-23/h6-9,21-23H,3-5,10-17H2,1-2H3,(H,27,32)/t21-,22-,23-/m1/s1.

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

N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide has a molecular weight of 484.60 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3aS,6R,6aS)-6-methoxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclopentyl]-4-(4-ethylpiperazin-1-yl)benzamide is sourced from PubChem (CID 143609144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).