2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone

C27H34F3N5O3 — CID 58428512

About 2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone

2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 58428512) has the molecular formula C27H34F3N5O3 and a molecular weight of 533.60 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
• PubChem CID: 58428512
• Molecular Formula: C27H34F3N5O3
• Molecular Weight: 533.60 g/mol
• Exact Mass: 533.26
• IUPAC Name: 2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
• SMILES: O=C(Cc1ccc(N2CCN(C(=O)CC3CCCC3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
• InChI: InChI=1S/C27H34F3N5O3/c28-27(29,30)25-24(38-26(32-25)35-10-4-1-5-11-35)21(36)16-20-8-9-22(31-18-20)33-12-14-34(15-13-33)23(37)17-19-6-2-3-7-19/h8-9,18-19H,1-7,10-17H2
• InChIKey: CFFAIDSUSGHFSN-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 82.78 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.60
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?

The IUPAC name of 2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 58428512) is 2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone is O=C(Cc1ccc(N2CCN(C(=O)CC3CCCC3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.

What is the InChIKey of 2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?

The InChIKey is CFFAIDSUSGHFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N5O3/c28-27(29,30)25-24(38-26(32-25)35-10-4-1-5-11-35)21(36)16-20-8-9-22(31-18-20)33-12-14-34(15-13-33)23(37)17-19-6-2-3-7-19/h8-9,18-19H,1-7,10-17H2.

What are the key properties of 2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?

2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 533.60 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 58428512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).