N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide

C32H42N4O4 — CID 123505317

About N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide

N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide (PubChem CID 123505317) has the molecular formula C32H42N4O4 and a molecular weight of 546.71 g/mol. Its IUPAC name is N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide.

Molecular Properties

• Compound Name: N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide
• PubChem CID: 123505317
• Molecular Formula: C32H42N4O4
• Molecular Weight: 546.71 g/mol
• Exact Mass: 546.32
• IUPAC Name: N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide
• SMILES: CC(=O)NC1C2CC(c3c2c(O)n(CC2CCCC2CN2CCC(N4C(=O)Cc5ccccc54)CC2)c3O)C1C
• InChI: InChI=1S/C32H42N4O4/c1-18-24-15-25(30(18)33-19(2)37)29-28(24)31(39)35(32(29)40)17-22-8-5-7-21(22)16-34-12-10-23(11-13-34)36-26-9-4-3-6-20(26)14-27(36)38/h3-4,6,9,18,21-25,30,39-40H,5,7-8,10-17H2,1-2H3,(H,33,37)
• InChIKey: BHIZANCKPNVWAR-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 98.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.71
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide?

The IUPAC name of N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide (CID 123505317) is N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide.

What is the SMILES notation for N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide?

The canonical SMILES for N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide is CC(=O)NC1C2CC(c3c2c(O)n(CC2CCCC2CN2CCC(N4C(=O)Cc5ccccc54)CC2)c3O)C1C.

What is the InChIKey of N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide?

The InChIKey is BHIZANCKPNVWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O4/c1-18-24-15-25(30(18)33-19(2)37)29-28(24)31(39)35(32(29)40)17-22-8-5-7-21(22)16-34-12-10-23(11-13-34)36-26-9-4-3-6-20(26)14-27(36)38/h3-4,6,9,18,21-25,30,39-40H,5,7-8,10-17H2,1-2H3,(H,33,37).

What are the key properties of N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide?

N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide has a molecular weight of 546.71 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide is sourced from PubChem (CID 123505317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).