N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide

C33H47N3O5Si — CID 23759592

About N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide

N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide (PubChem CID 23759592) has the molecular formula C33H47N3O5Si and a molecular weight of 593.84 g/mol. Its IUPAC name is N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide
• PubChem CID: 23759592
• Molecular Formula: C33H47N3O5Si
• Molecular Weight: 593.84 g/mol
• Exact Mass: 593.33
• IUPAC Name: N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide
• SMILES: C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@H]1CCc1ccc(NC(=O)C2CCCNC2)cc1
• InChI: InChI=1S/C33H47N3O5Si/c1-22-29(15-12-23-10-13-27(14-11-23)35-33(39)25-9-6-16-34-19-25)41-30(32(22)42(2,3)40)18-31(38)36-20-26-8-5-4-7-24(26)17-28(36)21-37/h4-5,7-8,10-11,13-14,22,25,28-30,32,34,37,40H,6,9,12,15-21H2,1-3H3,(H,35,39)/t22-,25?,28+,29+,30-,32+/m1/s1
• InChIKey: CMDYSJHZDIYUFT-XGCHRGFPSA-N
• XLogP: 3.86
• TPSA: 111.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.84
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide?

The IUPAC name of N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide (CID 23759592) is N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide.

What is the SMILES notation for N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide?

The canonical SMILES for N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide is C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@H]1CCc1ccc(NC(=O)C2CCCNC2)cc1.

What is the InChIKey of N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide?

The InChIKey is CMDYSJHZDIYUFT-XGCHRGFPSA-N. The full InChI is InChI=1S/C33H47N3O5Si/c1-22-29(15-12-23-10-13-27(14-11-23)35-33(39)25-9-6-16-34-19-25)41-30(32(22)42(2,3)40)18-31(38)36-20-26-8-5-4-7-24(26)17-28(36)21-37/h4-5,7-8,10-11,13-14,22,25,28-30,32,34,37,40H,6,9,12,15-21H2,1-3H3,(H,35,39)/t22-,25?,28+,29+,30-,32+/m1/s1.

What are the key properties of N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide?

N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide has a molecular weight of 593.84 g/mol, XLogP of 3.86, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 23759592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).