N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide

C33H33F4N3O3 — CID 147284415

About N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 147284415) has the molecular formula C33H33F4N3O3 and a molecular weight of 595.64 g/mol. Its IUPAC name is N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 147284415
• Molecular Formula: C33H33F4N3O3
• Molecular Weight: 595.64 g/mol
• Exact Mass: 595.25
• IUPAC Name: N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide
• SMILES: O=C(Cc1cc(C2CCN(C3CC3)CC2)cc(C(F)(F)F)c1)Cc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1
• InChI: InChI=1S/C33H33F4N3O3/c34-29-17-20(1-6-30(29)43-28-7-10-38-31(19-28)39-32(42)23-2-3-23)15-27(41)16-21-13-24(18-25(14-21)33(35,36)37)22-8-11-40(12-9-22)26-4-5-26/h1,6-7,10,13-14,17-19,22-23,26H,2-5,8-9,11-12,15-16H2,(H,38,39,42)
• InChIKey: CSYKFEAKDNNYCT-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.64
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide?

The IUPAC name of N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide (CID 147284415) is N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide?

The canonical SMILES for N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide is O=C(Cc1cc(C2CCN(C3CC3)CC2)cc(C(F)(F)F)c1)Cc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1.

What is the InChIKey of N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide?

The InChIKey is CSYKFEAKDNNYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F4N3O3/c34-29-17-20(1-6-30(29)43-28-7-10-38-31(19-28)39-32(42)23-2-3-23)15-27(41)16-21-13-24(18-25(14-21)33(35,36)37)22-8-11-40(12-9-22)26-4-5-26/h1,6-7,10,13-14,17-19,22-23,26H,2-5,8-9,11-12,15-16H2,(H,38,39,42).

What are the key properties of N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide?

N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 595.64 g/mol, XLogP of 7.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[3-[3-(1-cyclopropylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 147284415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).