6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one

C26H29FN4O2 — CID 91947066

IUPAC6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESCN1C(=O)CCC(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)C1c1ccc(F)cc1
InChIInChI=1S/C26H29FN4O2/c1-29-22-8-4-3-7-21(22)28-25(29)18-6-5-15-31(16-18)26(33)20-13-14-23(32)30(2)24(20)17-9-11-19(27)12-10-17/h3-4,7-12,18,20,24H,5-6,13-16H2,1-2H3
InChIKeyTZOHFTQMBYWILA-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.03
Rot. Bonds3

About 6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one

6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 91947066) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID91947066
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESCN1C(=O)CCC(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)C1c1ccc(F)cc1
InChIInChI=1S/C26H29FN4O2/c1-29-22-8-4-3-7-21(22)28-25(29)18-6-5-15-31(16-18)26(33)20-13-14-23(32)30(2)24(20)17-9-11-19(27)12-10-17/h3-4,7-12,18,20,24H,5-6,13-16H2,1-2H3
InChIKeyTZOHFTQMBYWILA-UHFFFAOYSA-N
XLogP4.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-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

Related Compounds

1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 91947124
3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 97275588
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 91946978
(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 124776857
1-methyl-5-[3-(methylamino)piperidine-1-carbonyl]-6-phenylpiperidin-2-one;hydrochloride
CID 119490707
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
5-acetyl-6-(4-fluorophenyl)-1-methylpiperidin-2-one
CID 18715100
N-[2-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 91947054
(5R,6S)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738417
(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738418
(5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95740187

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one (CID 91947066) is 6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one is CN1C(=O)CCC(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)C1c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is TZOHFTQMBYWILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-29-22-8-4-3-7-21(22)28-25(29)18-6-5-15-31(16-18)26(33)20-13-14-23(32)30(2)24(20)17-9-11-19(27)12-10-17/h3-4,7-12,18,20,24H,5-6,13-16H2,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one?
6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 448.54 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 91947066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).