(4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one

C24H26F3N3O2 — CID 92615288

IUPAC(4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1C[C@H](C(=O)N2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)CC1=O
InChIInChI=1S/C24H26F3N3O2/c1-29-15-19(13-22(29)31)23(32)30-10-8-18(9-11-30)21-7-4-17(14-28-21)12-16-2-5-20(6-3-16)24(25,26)27/h2-7,14,18-19H,8-13,15H2,1H3/t19-/m1/s1
InChIKeyMKTOKPOUHGOCRX-LJQANCHMSA-N
MW445.49 g/mol
LogP3.88
Rot. Bonds4

About (4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 92615288) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is (4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID92615288
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC Name(4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1C[C@H](C(=O)N2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)CC1=O
InChIInChI=1S/C24H26F3N3O2/c1-29-15-19(13-22(29)31)23(32)30-10-8-18(9-11-30)21-7-4-17(14-28-21)12-16-2-5-20(6-3-16)24(25,26)27/h2-7,14,18-19H,8-13,15H2,1H3/t19-/m1/s1
InChIKeyMKTOKPOUHGOCRX-LJQANCHMSA-N
XLogP3.88
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 92615288) is (4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one is CN1C[C@H](C(=O)N2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)CC1=O.
What is the InChIKey of (4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is MKTOKPOUHGOCRX-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c1-29-15-19(13-22(29)31)23(32)30-10-8-18(9-11-30)21-7-4-17(14-28-21)12-16-2-5-20(6-3-16)24(25,26)27/h2-7,14,18-19H,8-13,15H2,1H3/t19-/m1/s1.
What are the key properties of (4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 445.49 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 92615288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).