1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole

C23H28N2O3 — CID 22038018

IUPAC1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2C1CCN(CCCOc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C23H28N2O3/c1-2-5-21-18(4-1)8-14-25(21)19-9-12-24(13-10-19)11-3-15-26-20-6-7-22-23(16-20)28-17-27-22/h1-2,4-7,16,19H,3,8-15,17H2
InChIKeyCXPJYEUREMVRRR-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.71
Rot. Bonds6

About 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole

1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole (PubChem CID 22038018) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole
PubChem CID22038018
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2C1CCN(CCCOc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C23H28N2O3/c1-2-5-21-18(4-1)8-14-25(21)19-9-12-24(13-10-19)11-3-15-26-20-6-7-22-23(16-20)28-17-27-22/h1-2,4-7,16,19H,3,8-15,17H2
InChIKeyCXPJYEUREMVRRR-UHFFFAOYSA-N
XLogP3.71
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol
CID 22038273
2-[4-[3-(1,3-benzodioxol-5-yloxy)propyl]piperazin-1-yl]pyrimidine
CID 13309342
1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azetidin-3-yl]pyrazole
CID 56781195
2-[(3S)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-3-yl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 73348098
1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22037972
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17414500
7-[[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-3-yl]methyl]-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][3]benzazepin-6-one
CID 54079753
(2S)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]-2-ethylpiperidine
CID 52771462
anisole;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole
CID 174390999
2-[4-[3-(1,3-benzodioxol-5-yloxy)propyl]-1,4-diazepan-1-yl]-1H-benzimidazole
CID 86892533
2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine
CID 174404581

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole?
The IUPAC name of 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole (CID 22038018) is 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole is c1ccc2c(c1)CCN2C1CCN(CCCOc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole?
The InChIKey is CXPJYEUREMVRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-5-21-18(4-1)8-14-25(21)19-9-12-24(13-10-19)11-3-15-26-20-6-7-22-23(16-20)28-17-27-22/h1-2,4-7,16,19H,3,8-15,17H2.
What are the key properties of 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole?
1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole has a molecular weight of 380.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 22038018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).