N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C23H28FN3O — CID 46963818

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCN1CCc2ccccc21)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3O/c24-21-7-5-18(6-8-21)17-26-13-9-20(10-14-26)23(28)25-12-16-27-15-11-19-3-1-2-4-22(19)27/h1-8,20H,9-17H2,(H,25,28)
InChIKeyAKODNYBDIITJKL-UHFFFAOYSA-N
MW381.49 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 46963818) has the molecular formula C23H28FN3O and a molecular weight of 381.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID46963818
Molecular FormulaC23H28FN3O
Molecular Weight381.49 g/mol
Exact Mass381.22
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCN1CCc2ccccc21)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3O/c24-21-7-5-18(6-8-21)17-26-13-9-20(10-14-26)23(28)25-12-16-27-15-11-19-3-1-2-4-22(19)27/h1-8,20H,9-17H2,(H,25,28)
InChIKeyAKODNYBDIITJKL-UHFFFAOYSA-N
XLogP3.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]piperidine-4-carboxamide
CID 155615979
cis-(1S,3R)-3-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 133134060
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149108
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 38464944
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168284
1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762838
(3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide
CID 51504785
1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 136512544
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110620154
(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 81133525

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 46963818) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(NCCN1CCc2ccccc21)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is AKODNYBDIITJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c24-21-7-5-18(6-8-21)17-26-13-9-20(10-14-26)23(28)25-12-16-27-15-11-19-3-1-2-4-22(19)27/h1-8,20H,9-17H2,(H,25,28).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 381.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46963818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).