(2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone

C23H25F2N3O2 — CID 46158311

IUPAC(2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC2)c(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C23H25F2N3O2/c1-15-4-6-19(23(30)27-10-2-3-11-27)21(26-15)16-8-12-28(13-9-16)22(29)18-7-5-17(24)14-20(18)25/h4-7,14,16H,2-3,8-13H2,1H3
InChIKeyZAKOIAZQMKRJTE-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.92
Rot. Bonds3

About (2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone

(2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 46158311) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID46158311
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name(2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC2)c(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C23H25F2N3O2/c1-15-4-6-19(23(30)27-10-2-3-11-27)21(26-15)16-8-12-28(13-9-16)22(29)18-7-5-17(24)14-20(18)25/h4-7,14,16H,2-3,8-13H2,1H3
InChIKeyZAKOIAZQMKRJTE-UHFFFAOYSA-N
XLogP3.92
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone 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 (2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone (CID 46158311) is (2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC2)c(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1.
What is the InChIKey of (2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is ZAKOIAZQMKRJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c1-15-4-6-19(23(30)27-10-2-3-11-27)21(26-15)16-8-12-28(13-9-16)22(29)18-7-5-17(24)14-20(18)25/h4-7,14,16H,2-3,8-13H2,1H3.
What are the key properties of (2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone?
(2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 413.47 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46158311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).