N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide

C27H37N3O4 — CID 66986687

About N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide

N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide (PubChem CID 66986687) has the molecular formula C27H37N3O4 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide.

Molecular Properties

• Compound Name: N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
• PubChem CID: 66986687
• Molecular Formula: C27H37N3O4
• Molecular Weight: 467.61 g/mol
• Exact Mass: 467.28
• IUPAC Name: N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide
• SMILES: CCC(C)C(NC(=O)c1ccc(C2CCN(C3CC3)CC2)cc1)C(=O)N1CC[C@H]2OCC(=O)[C@H]21
• InChI: InChI=1S/C27H37N3O4/c1-3-17(2)24(27(33)30-15-12-23-25(30)22(31)16-34-23)28-26(32)20-6-4-18(5-7-20)19-10-13-29(14-11-19)21-8-9-21/h4-7,17,19,21,23-25H,3,8-16H2,1-2H3,(H,28,32)/t17?,23-,24?,25-/m1/s1
• InChIKey: TVKAEXCAYYWJPS-DIGJMJCQSA-N
• XLogP: 2.74
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.61
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide?

The IUPAC name of N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide (CID 66986687) is N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide.

What is the SMILES notation for N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide?

The canonical SMILES for N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide is CCC(C)C(NC(=O)c1ccc(C2CCN(C3CC3)CC2)cc1)C(=O)N1CC[C@H]2OCC(=O)[C@H]21.

What is the InChIKey of N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide?

The InChIKey is TVKAEXCAYYWJPS-DIGJMJCQSA-N. The full InChI is InChI=1S/C27H37N3O4/c1-3-17(2)24(27(33)30-15-12-23-25(30)22(31)16-34-23)28-26(32)20-6-4-18(5-7-20)19-10-13-29(14-11-19)21-8-9-21/h4-7,17,19,21,23-25H,3,8-16H2,1-2H3,(H,28,32)/t17?,23-,24?,25-/m1/s1.

What are the key properties of N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide?

N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide has a molecular weight of 467.61 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-methyl-1-oxopentan-2-yl]-4-(1-cyclopropylpiperidin-4-yl)benzamide is sourced from PubChem (CID 66986687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).