N-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene

C24H32FN3O — CID 174392016

IUPACN-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene
SMILESCCN1CCC(C(NC(C)=O)c2ccc3c(c2)NCC3)CC1.Fc1ccccc1
InChIInChI=1S/C18H27N3O.C6H5F/c1-3-21-10-7-15(8-11-21)18(20-13(2)22)16-5-4-14-6-9-19-17(14)12-16;7-6-4-2-1-3-5-6/h4-5,12,15,18-19H,3,6-11H2,1-2H3,(H,20,22);1-5H
InChIKeyZNQXAXPHRDBPRY-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.39
Rot. Bonds4

About N-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene

N-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene (PubChem CID 174392016) has the molecular formula C24H32FN3O and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene
PubChem CID174392016
Molecular FormulaC24H32FN3O
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC NameN-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene
SMILESCCN1CCC(C(NC(C)=O)c2ccc3c(c2)NCC3)CC1.Fc1ccccc1
InChIInChI=1S/C18H27N3O.C6H5F/c1-3-21-10-7-15(8-11-21)18(20-13(2)22)16-5-4-14-6-9-19-17(14)12-16;7-6-4-2-1-3-5-6/h4-5,12,15,18-19H,3,6-11H2,1-2H3,(H,20,22);1-5H
InChIKeyZNQXAXPHRDBPRY-UHFFFAOYSA-N
XLogP4.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indol-6-amine
CID 174414194
N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110226600
2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene
CID 174405792
N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92581839
N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86918867
N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide
CID 146103213
2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide
CID 97205946
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795
N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 92574484
N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 167192191
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 141220125
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95598616

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene?
The IUPAC name of N-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene (CID 174392016) is N-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene.
What is the SMILES notation for N-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene?
The canonical SMILES for N-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene is CCN1CCC(C(NC(C)=O)c2ccc3c(c2)NCC3)CC1.Fc1ccccc1.
What is the InChIKey of N-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene?
The InChIKey is ZNQXAXPHRDBPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.C6H5F/c1-3-21-10-7-15(8-11-21)18(20-13(2)22)16-5-4-14-6-9-19-17(14)12-16;7-6-4-2-1-3-5-6/h4-5,12,15,18-19H,3,6-11H2,1-2H3,(H,20,22);1-5H.
What are the key properties of N-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene?
N-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene has a molecular weight of 397.54 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-indol-6-yl-(1-ethylpiperidin-4-yl)methyl]acetamide;fluorobenzene is sourced from PubChem (CID 174392016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).