[1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate

C28H28F3N3O3 — CID 45352800

About [1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate

[1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 45352800) has the molecular formula C28H28F3N3O3 and a molecular weight of 511.54 g/mol. Its IUPAC name is [1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: [1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
• PubChem CID: 45352800
• Molecular Formula: C28H28F3N3O3
• Molecular Weight: 511.54 g/mol
• Exact Mass: 511.21
• IUPAC Name: [1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
• SMILES: CC(OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)NC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H28F3N3O3/c1-19(26(35)33-25(20-8-4-2-5-9-20)21-10-6-3-7-11-21)37-27(36)22-14-16-34(17-15-22)24-13-12-23(18-32-24)28(29,30)31/h2-13,18-19,22,25H,14-17H2,1H3,(H,33,35)
• InChIKey: RIWWGBKHBUIGOV-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.54
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?

The IUPAC name of [1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate (CID 45352800) is [1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate.

What is the SMILES notation for [1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?

The canonical SMILES for [1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate is CC(OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)NC(c1ccccc1)c1ccccc1.

What is the InChIKey of [1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?

The InChIKey is RIWWGBKHBUIGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O3/c1-19(26(35)33-25(20-8-4-2-5-9-20)21-10-6-3-7-11-21)37-27(36)22-14-16-34(17-15-22)24-13-12-23(18-32-24)28(29,30)31/h2-13,18-19,22,25H,14-17H2,1H3,(H,33,35).

What are the key properties of [1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?

[1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 511.54 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(benzhydrylamino)-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 45352800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).