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

C26H35N3O5 — CID 24891453

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

N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-methylpiperidin-4-yl)benzamide (PubChem CID 24891453) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 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]cyclohexyl]-4-(1-methylpiperidin-4-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]cyclohexyl]-4-(1-methylpiperidin-4-yl)benzamide
• PubChem CID: 24891453
• Molecular Formula: C26H35N3O5
• Molecular Weight: 469.58 g/mol
• Exact Mass: 469.26
• IUPAC Name: N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-methylpiperidin-4-yl)benzamide
• SMILES: CN1CCC(c2ccc(C(=O)NC3(C(=O)N4C[C@H](O)[C@H]5OCC(=O)[C@H]54)CCCCC3)cc2)CC1
• InChI: InChI=1S/C26H35N3O5/c1-28-13-9-18(10-14-28)17-5-7-19(8-6-17)24(32)27-26(11-3-2-4-12-26)25(33)29-15-20(30)23-22(29)21(31)16-34-23/h5-8,18,20,22-23,30H,2-4,9-16H2,1H3,(H,27,32)/t20-,22+,23+/m0/s1
• InChIKey: VAMSAAUNUHKHOU-MDNUFGMLSA-N
• XLogP: 1.47
• TPSA: 99.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.58
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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]cyclohexyl]-4-(1-methylpiperidin-4-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]cyclohexyl]-4-(1-methylpiperidin-4-yl)benzamide (CID 24891453) is N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-methylpiperidin-4-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]cyclohexyl]-4-(1-methylpiperidin-4-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]cyclohexyl]-4-(1-methylpiperidin-4-yl)benzamide is CN1CCC(c2ccc(C(=O)NC3(C(=O)N4C[C@H](O)[C@H]5OCC(=O)[C@H]54)CCCCC3)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]cyclohexyl]-4-(1-methylpiperidin-4-yl)benzamide?

The InChIKey is VAMSAAUNUHKHOU-MDNUFGMLSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-28-13-9-18(10-14-28)17-5-7-19(8-6-17)24(32)27-26(11-3-2-4-12-26)25(33)29-15-20(30)23-22(29)21(31)16-34-23/h5-8,18,20,22-23,30H,2-4,9-16H2,1H3,(H,27,32)/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]cyclohexyl]-4-(1-methylpiperidin-4-yl)benzamide?

N-[1-[(3aS,6S,6aS)-6-hydroxy-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbonyl]cyclohexyl]-4-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 469.58 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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]cyclohexyl]-4-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 24891453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).