9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate

C29H32N4O3 — CID 134434896

About 9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate (PubChem CID 134434896) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate
• PubChem CID: 134434896
• Molecular Formula: C29H32N4O3
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.25
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate
• SMILES: C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(Cc2ccccn2)CCNCC1
• InChI: InChI=1S/C29H32N4O3/c1-20(27(34)33-29(13-16-30-17-14-29)18-21-8-6-7-15-31-21)32-28(35)36-19-26-24-11-4-2-9-22(24)23-10-3-5-12-25(23)26/h2-12,15,20,26,30H,13-14,16-19H2,1H3,(H,32,35)(H,33,34)/t20-/m1/s1
• InChIKey: XUHDFUWLRFUJOW-HXUWFJFHSA-N
• XLogP: 3.79
• TPSA: 92.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate (CID 134434896) is 9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate is C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1(Cc2ccccn2)CCNCC1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate?

The InChIKey is XUHDFUWLRFUJOW-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-20(27(34)33-29(13-16-30-17-14-29)18-21-8-6-7-15-31-21)32-28(35)36-19-26-24-11-4-2-9-22(24)23-10-3-5-12-25(23)26/h2-12,15,20,26,30H,13-14,16-19H2,1H3,(H,32,35)(H,33,34)/t20-/m1/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate?

9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate has a molecular weight of 484.60 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[(2R)-1-oxo-1-[[4-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-yl]carbamate is sourced from PubChem (CID 134434896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).