[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone

C23H24ClF4N3O — CID 55805231

About [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 55805231) has the molecular formula C23H24ClF4N3O and a molecular weight of 469.91 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 55805231
• Molecular Formula: C23H24ClF4N3O
• Molecular Weight: 469.91 g/mol
• Exact Mass: 469.15
• IUPAC Name: [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
• SMILES: O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCC1Cc1cccc(F)c1
• InChI: InChI=1S/C23H24ClF4N3O/c24-20-13-17(23(26,27)28)14-29-21(20)30-9-6-16(7-10-30)22(32)31-8-2-5-19(31)12-15-3-1-4-18(25)11-15/h1,3-4,11,13-14,16,19H,2,5-10,12H2
• InChIKey: AIZXCAQJJCUKOR-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.91
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone (CID 55805231) is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone is O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCC1Cc1cccc(F)c1.

What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone?

The InChIKey is AIZXCAQJJCUKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF4N3O/c24-20-13-17(23(26,27)28)14-29-21(20)30-9-6-16(7-10-30)22(32)31-8-2-5-19(31)12-15-3-1-4-18(25)11-15/h1,3-4,11,13-14,16,19H,2,5-10,12H2.

What are the key properties of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone?

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 469.91 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 55805231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).