(4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone

C19H23FN4O — CID 167968324

IUPAC(4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCn1ccnc1CC1CCN(C(=O)N2CCc3c(F)cccc32)CC1
InChIInChI=1S/C19H23FN4O/c1-22-12-8-21-18(22)13-14-5-9-23(10-6-14)19(25)24-11-7-15-16(20)3-2-4-17(15)24/h2-4,8,12,14H,5-7,9-11,13H2,1H3
InChIKeyWLHXOFXJJQWFLP-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.00
Rot. Bonds2

About (4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone

(4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 167968324) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is (4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID167968324
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name(4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCn1ccnc1CC1CCN(C(=O)N2CCc3c(F)cccc32)CC1
InChIInChI=1S/C19H23FN4O/c1-22-12-8-21-18(22)13-14-5-9-23(10-6-14)19(25)24-11-7-15-16(20)3-2-4-17(15)24/h2-4,8,12,14H,5-7,9-11,13H2,1H3
InChIKeyWLHXOFXJJQWFLP-UHFFFAOYSA-N
XLogP3.00
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]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 (4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone (CID 167968324) is (4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone is Cn1ccnc1CC1CCN(C(=O)N2CCc3c(F)cccc32)CC1.
What is the InChIKey of (4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is WLHXOFXJJQWFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-22-12-8-21-18(22)13-14-5-9-23(10-6-14)19(25)24-11-7-15-16(20)3-2-4-17(15)24/h2-4,8,12,14H,5-7,9-11,13H2,1H3.
What are the key properties of (4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
(4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,3-dihydroindol-1-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 167968324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).