2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone

C21H23FN2O — CID 43926283

IUPAC2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccccc2F)C1)N1CCc2ccccc21
InChIInChI=1S/C21H23FN2O/c22-19-9-3-1-7-17(19)14-23-12-5-8-18(15-23)21(25)24-13-11-16-6-2-4-10-20(16)24/h1-4,6-7,9-10,18H,5,8,11-15H2
InChIKeyISVWDCOKJULDAO-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.63
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone

2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone (PubChem CID 43926283) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
PubChem CID43926283
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccccc2F)C1)N1CCc2ccccc21
InChIInChI=1S/C21H23FN2O/c22-19-9-3-1-7-17(19)14-23-12-5-8-18(15-23)21(25)24-13-11-16-6-2-4-10-20(16)24/h1-4,6-7,9-10,18H,5,8,11-15H2
InChIKeyISVWDCOKJULDAO-UHFFFAOYSA-N
XLogP3.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926265
2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926284
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 1400992
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 43925393
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904104
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43925897

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone (CID 43926283) is 2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone is O=C(C1CCCN(Cc2ccccc2F)C1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is ISVWDCOKJULDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c22-19-9-3-1-7-17(19)14-23-12-5-8-18(15-23)21(25)24-13-11-16-6-2-4-10-20(16)24/h1-4,6-7,9-10,18H,5,8,11-15H2.
What are the key properties of 2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 338.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 43926283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).