2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene

C24H32FN3O — CID 174405792

IUPAC2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene
SMILESCCN1CCC(N2CCc3ccc(C(C=O)NC)cc32)CC1.Fc1ccccc1
InChIInChI=1S/C18H27N3O.C6H5F/c1-3-20-9-7-16(8-10-20)21-11-6-14-4-5-15(12-18(14)21)17(13-22)19-2;7-6-4-2-1-3-5-6/h4-5,12-13,16-17,19H,3,6-11H2,1-2H3;1-5H
InChIKeyVHPCSIHIRPNZPD-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.82
Rot. Bonds5

About 2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene

2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene (PubChem CID 174405792) has the molecular formula C24H32FN3O and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene.

Molecular Properties

Compound Name2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene
PubChem CID174405792
Molecular FormulaC24H32FN3O
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC Name2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene
SMILESCCN1CCC(N2CCc3ccc(C(C=O)NC)cc32)CC1.Fc1ccccc1
InChIInChI=1S/C18H27N3O.C6H5F/c1-3-20-9-7-16(8-10-20)21-11-6-14-4-5-15(12-18(14)21)17(13-22)19-2;7-6-4-2-1-3-5-6/h4-5,12-13,16-17,19H,3,6-11H2,1-2H3;1-5H
InChIKeyVHPCSIHIRPNZPD-UHFFFAOYSA-N
XLogP3.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)-acetamide
CID 9908680
2-[4-(4-Methyl-benzyl)-piperidin-1-yl]-2-oxo-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)-acetamide
CID 10135057
1-Propanoyl-N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-YL}ethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 16027720
1-[2-(4-Fluorophenyl)acetyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18587979
(2R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428968
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydroindole-2-carboxamide
CID 122192201
1-(4-Fluorophenethylpiperdin-4-yl]-6-acetamidomethylindoline
CID 10000786
N-[3-(4-Phenylpiperazin-1-YL)propyl]-1-propanoyl-2,3-dihydro-1H-indole-2-carboxamide
CID 16027647
3-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1,3-dihydro-indol-2-one
CID 44307692
N-{3-[4-(4-Fluorophenyl)piperazin-1-YL]propyl}-1-propanoyl-2,3-dihydro-1H-indole-2-carboxamide
CID 16027629
N-{3-[4-(2,5-Dimethylphenyl)piperazin-1-YL]propyl}-1-propanoyl-2,3-dihydro-1H-indole-2-carboxamide
CID 16027693
N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216649

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene?
The IUPAC name of 2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene (CID 174405792) is 2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene.
What is the SMILES notation for 2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene?
The canonical SMILES for 2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene is CCN1CCC(N2CCc3ccc(C(C=O)NC)cc32)CC1.Fc1ccccc1.
What is the InChIKey of 2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene?
The InChIKey is VHPCSIHIRPNZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.C6H5F/c1-3-20-9-7-16(8-10-20)21-11-6-14-4-5-15(12-18(14)21)17(13-22)19-2;7-6-4-2-1-3-5-6/h4-5,12-13,16-17,19H,3,6-11H2,1-2H3;1-5H.
What are the key properties of 2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene?
2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene has a molecular weight of 397.54 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene is sourced from PubChem (CID 174405792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).