(1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione

C32H46N4O6 — CID 125416041

About (1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione

(1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione (PubChem CID 125416041) has the molecular formula C32H46N4O6 and a molecular weight of 582.74 g/mol. Its IUPAC name is (1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione.

Molecular Properties

• Compound Name: (1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione
• PubChem CID: 125416041
• Molecular Formula: C32H46N4O6
• Molecular Weight: 582.74 g/mol
• Exact Mass: 582.34
• IUPAC Name: (1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione
• SMILES: CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(C5CCCC5)ccc4C(=O)N3)CC[C@@H]2O)CC1
• InChI: InChI=1S/C32H46N4O6/c1-20(37)35-13-10-24(11-14-35)36-19-23-17-27(36)32(40)33-18-30-28(38)9-7-25(42-30)12-15-41-29-16-22(21-4-2-3-5-21)6-8-26(29)31(39)34-23/h6,8,16,21,23-25,27-28,30,38H,2-5,7,9-15,17-19H2,1H3,(H,33,40)(H,34,39)/t23-,25-,27-,28-,30+/m0/s1
• InChIKey: ZIVSLULFKPEHAO-IKJZKLLOSA-N
• XLogP: 2.34
• TPSA: 120.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.74
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione?

The IUPAC name of (1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione (CID 125416041) is (1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione.

What is the SMILES notation for (1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione?

The canonical SMILES for (1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione is CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)NC[C@H]2O[C@H](CCOc4cc(C5CCCC5)ccc4C(=O)N3)CC[C@@H]2O)CC1.

What is the InChIKey of (1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione?

The InChIKey is ZIVSLULFKPEHAO-IKJZKLLOSA-N. The full InChI is InChI=1S/C32H46N4O6/c1-20(37)35-13-10-24(11-14-35)36-19-23-17-27(36)32(40)33-18-30-28(38)9-7-25(42-30)12-15-41-29-16-22(21-4-2-3-5-21)6-8-26(29)31(39)34-23/h6,8,16,21,23-25,27-28,30,38H,2-5,7,9-15,17-19H2,1H3,(H,33,40)(H,34,39)/t23-,25-,27-,28-,30+/m0/s1.

What are the key properties of (1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione?

(1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione has a molecular weight of 582.74 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-14-cyclopentyl-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione is sourced from PubChem (CID 125416041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).