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

C21H23FN2O — CID 43926284

IUPAC2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccc(F)cc2)C1)N1CCc2ccccc21
InChIInChI=1S/C21H23FN2O/c22-19-9-7-16(8-10-19)14-23-12-3-5-18(15-23)21(25)24-13-11-17-4-1-2-6-20(17)24/h1-2,4,6-10,18H,3,5,11-15H2
InChIKeyCNZHTOQFNDCQJH-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.63
Rot. Bonds3

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

2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone (PubChem CID 43926284) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
PubChem CID43926284
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccc(F)cc2)C1)N1CCc2ccccc21
InChIInChI=1S/C21H23FN2O/c22-19-9-7-16(8-10-19)14-23-12-3-5-18(15-23)21(25)24-13-11-17-4-1-2-6-20(17)24/h1-2,4,6-10,18H,3,5,11-15H2
InChIKeyCNZHTOQFNDCQJH-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

2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926283
2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904104
3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926265
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904110
4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149108
(3S)-N-benzhydryl-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38102948
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(4-fluorophenyl)methyl (3S)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate
CID 95731939
2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 163354238
2,3-dihydroindol-1-yl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1445023

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone (CID 43926284) is 2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone is O=C(C1CCCN(Cc2ccc(F)cc2)C1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is CNZHTOQFNDCQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c22-19-9-7-16(8-10-19)14-23-12-3-5-18(15-23)21(25)24-13-11-17-4-1-2-6-20(17)24/h1-2,4,6-10,18H,3,5,11-15H2.
What are the key properties of 2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[1-[(4-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-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 43926284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).