N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide

C33H46FN5O3Si — CID 23957636

About N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide

N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide (PubChem CID 23957636) has the molecular formula C33H46FN5O3Si and a molecular weight of 607.85 g/mol. Its IUPAC name is N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide
• PubChem CID: 23957636
• Molecular Formula: C33H46FN5O3Si
• Molecular Weight: 607.85 g/mol
• Exact Mass: 607.34
• IUPAC Name: N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide
• SMILES: C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCn2cc(C(CO)c3ccccc3)nn2)O[C@H]1CCc1cccc(NC(=O)C2CCCNC2)c1
• InChI: InChI=1S/C33H46FN5O3Si/c1-23-30(15-14-24-9-7-13-27(19-24)36-33(41)26-12-8-17-35-20-26)42-31(32(23)43(2,3)34)16-18-39-21-29(37-38-39)28(22-40)25-10-5-4-6-11-25/h4-7,9-11,13,19,21,23,26,28,30-32,35,40H,8,12,14-18,20,22H2,1-3H3,(H,36,41)/t23-,26?,28?,30+,31-,32+/m1/s1
• InChIKey: JXZMIPGTGPSQBM-RHQBULDLSA-N
• XLogP: 5.31
• TPSA: 101.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.85
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide?

The IUPAC name of N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide (CID 23957636) is N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide.

What is the SMILES notation for N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide?

The canonical SMILES for N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide is C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCn2cc(C(CO)c3ccccc3)nn2)O[C@H]1CCc1cccc(NC(=O)C2CCCNC2)c1.

What is the InChIKey of N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide?

The InChIKey is JXZMIPGTGPSQBM-RHQBULDLSA-N. The full InChI is InChI=1S/C33H46FN5O3Si/c1-23-30(15-14-24-9-7-13-27(19-24)36-33(41)26-12-8-17-35-20-26)42-31(32(23)43(2,3)34)16-18-39-21-29(37-38-39)28(22-40)25-10-5-4-6-11-25/h4-7,9-11,13,19,21,23,26,28,30-32,35,40H,8,12,14-18,20,22H2,1-3H3,(H,36,41)/t23-,26?,28?,30+,31-,32+/m1/s1.

What are the key properties of N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide?

N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide has a molecular weight of 607.85 g/mol, XLogP of 5.31, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 23957636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).