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-propan-2-ylpiperidin-4-yl)benzamide

C27H39N3O4 — CID 68705479

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-propan-2-ylpiperidin-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-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 68705479) has the molecular formula C27H39N3O4 and a molecular weight of 469.63 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-propan-2-ylpiperidin-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-propan-2-ylpiperidin-4-yl)benzamide
• PubChem CID: 68705479
• Molecular Formula: C27H39N3O4
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.29
• 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-propan-2-ylpiperidin-4-yl)benzamide
• SMILES: CCC(C)C(NC(=O)c1ccc(C2CCN(C(C)C)CC2)cc1)C(=O)N1CC[C@H]2OCC(=O)[C@H]21
• InChI: InChI=1S/C27H39N3O4/c1-5-18(4)24(27(33)30-15-12-23-25(30)22(31)16-34-23)28-26(32)21-8-6-19(7-9-21)20-10-13-29(14-11-20)17(2)3/h6-9,17-18,20,23-25H,5,10-16H2,1-4H3,(H,28,32)/t18?,23-,24?,25-/m1/s1
• InChIKey: PNVUGNQFFSSMIZ-CIPMTBIZSA-N
• XLogP: 2.99
• 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	469.63
LogP ≤ 5	2.99
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-propan-2-ylpiperidin-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-propan-2-ylpiperidin-4-yl)benzamide (CID 68705479) 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-propan-2-ylpiperidin-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-propan-2-ylpiperidin-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-propan-2-ylpiperidin-4-yl)benzamide is CCC(C)C(NC(=O)c1ccc(C2CCN(C(C)C)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-propan-2-ylpiperidin-4-yl)benzamide?

The InChIKey is PNVUGNQFFSSMIZ-CIPMTBIZSA-N. The full InChI is InChI=1S/C27H39N3O4/c1-5-18(4)24(27(33)30-15-12-23-25(30)22(31)16-34-23)28-26(32)21-8-6-19(7-9-21)20-10-13-29(14-11-20)17(2)3/h6-9,17-18,20,23-25H,5,10-16H2,1-4H3,(H,28,32)/t18?,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-propan-2-ylpiperidin-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-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 469.63 g/mol, XLogP of 2.99, 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-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 68705479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).