3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one

C24H30N2O — CID 10338707

IUPAC3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one
SMILESCN1CCc2cc(C(=O)CCC3CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C24H30N2O/c1-25-14-13-21-17-22(8-9-23(21)25)24(27)10-7-19-11-15-26(16-12-19)18-20-5-3-2-4-6-20/h2-6,8-9,17,19H,7,10-16,18H2,1H3
InChIKeyVUEKQQFQMBNDTO-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.55
Rot. Bonds6

About 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one

3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one (PubChem CID 10338707) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one
PubChem CID10338707
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one
SMILESCN1CCc2cc(C(=O)CCC3CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C24H30N2O/c1-25-14-13-21-17-22(8-9-23(21)25)24(27)10-7-19-11-15-26(16-12-19)18-20-5-3-2-4-6-20/h2-6,8-9,17,19H,7,10-16,18H2,1H3
InChIKeyVUEKQQFQMBNDTO-UHFFFAOYSA-N
XLogP4.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4,4'-Bis(diethylamino)benzophenone
CID 66663
1-benzyl-2,3-dihydro-1H-indole-5-carbaldehyde
CID 927567
4-(Dimethylamino)benzophenone
CID 10737
4-(4-Methyl-1-piperazinyl)acetophenone
CID 33551
4'-Piperidinoacetophenone
CID 82561
1-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-3,3-dimethylindolin-2-one hydrochloride
CID 11957576
10-(6-(diethylamino)hexyl)acridin-9(10H)-one
CID 44566054
1,2-Bis(4-(dimethylamino)phenyl)ethane-1,2-dione
CID 222570
1-(2-aminophenyl)-4-[(10R,15S)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-trien-12-yl]butan-1-one
CID 44378016
4-[(10R,15S)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-trien-12-yl]-1-(4-fluorophenyl)butan-1-one
CID 69432471
1-[4-(4-Benzylpiperazin-1-yl)phenyl]ethanone
CID 757808

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one (CID 10338707) is 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one is CN1CCc2cc(C(=O)CCC3CCN(Cc4ccccc4)CC3)ccc21.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one?
The InChIKey is VUEKQQFQMBNDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-25-14-13-21-17-22(8-9-23(21)25)24(27)10-7-19-11-15-26(16-12-19)18-20-5-3-2-4-6-20/h2-6,8-9,17,19H,7,10-16,18H2,1H3.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one?
3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one has a molecular weight of 362.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-one is sourced from PubChem (CID 10338707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).