N-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide

C32H47N3O5Si — CID 23929851

About N-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide

N-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide (PubChem CID 23929851) has the molecular formula C32H47N3O5Si and a molecular weight of 581.83 g/mol. Its IUPAC name is N-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide
• PubChem CID: 23929851
• Molecular Formula: C32H47N3O5Si
• Molecular Weight: 581.83 g/mol
• Exact Mass: 581.33
• IUPAC Name: N-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide
• SMILES: C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@H]1CCc1cccc(NC(=O)C2CCCNC2)c1
• InChI: InChI=1S/C32H47N3O5Si/c1-23-28(15-14-24-11-7-13-27(19-24)34-32(38)26-12-8-16-33-21-26)40-29(31(23)41(2,3)39)20-30(37)35(17-18-36)22-25-9-5-4-6-10-25/h4-7,9-11,13,19,23,26,28-29,31,33,36,39H,8,12,14-18,20-22H2,1-3H3,(H,34,38)/t23-,26?,28+,29-,31+/m1/s1
• InChIKey: ZKNXALDIUGEZOM-ZDVRPNDGSA-N
• XLogP: 3.94
• TPSA: 111.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.83
LogP ≤ 5	3.94
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-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide?

The IUPAC name of N-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide (CID 23929851) is N-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide.

What is the SMILES notation for N-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide?

The canonical SMILES for N-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide is C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@H]1CCc1cccc(NC(=O)C2CCCNC2)c1.

What is the InChIKey of N-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide?

The InChIKey is ZKNXALDIUGEZOM-ZDVRPNDGSA-N. The full InChI is InChI=1S/C32H47N3O5Si/c1-23-28(15-14-24-11-7-13-27(19-24)34-32(38)26-12-8-16-33-21-26)40-29(31(23)41(2,3)39)20-30(37)35(17-18-36)22-25-9-5-4-6-10-25/h4-7,9-11,13,19,23,26,28-29,31,33,36,39H,8,12,14-18,20-22H2,1-3H3,(H,34,38)/t23-,26?,28+,29-,31+/m1/s1.

What are the key properties of N-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide?

N-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide has a molecular weight of 581.83 g/mol, XLogP of 3.94, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(2S,3R,4S,5R)-5-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4-[hydroxy(dimethyl)silyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 23929851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).