3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole

C29H33N3O3 — CID 142655706

IUPAC3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]cc(CCCN3CCN(c4ccccc4OC4=CC=C5OCCC5O4)CC3)c2c1
InChIInChI=1S/C29H33N3O3/c1-21-8-9-24-23(19-21)22(20-30-24)5-4-13-31-14-16-32(17-15-31)25-6-2-3-7-26(25)34-29-11-10-27-28(35-29)12-18-33-27/h2-3,6-11,19-20,28,30H,4-5,12-18H2,1H3
InChIKeyRSUHUWHCLPHJMJ-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.15
Rot. Bonds7

About 3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole

3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole (PubChem CID 142655706) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole.

Molecular Properties

Compound Name3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole
PubChem CID142655706
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]cc(CCCN3CCN(c4ccccc4OC4=CC=C5OCCC5O4)CC3)c2c1
InChIInChI=1S/C29H33N3O3/c1-21-8-9-24-23(19-21)22(20-30-24)5-4-13-31-14-16-32(17-15-31)25-6-2-3-7-26(25)34-29-11-10-27-28(35-29)12-18-33-27/h2-3,6-11,19-20,28,30H,4-5,12-18H2,1H3
InChIKeyRSUHUWHCLPHJMJ-UHFFFAOYSA-N
XLogP5.15
TPSA49.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole with MolForge

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Related Compounds

5-iodo-3-[3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-1H-indole
CID 10143502
3-[3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 10276872
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 177378521
3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
CID 10226137
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;hydrochloride
CID 11464426
6-chloro-3-[3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 10164181
4-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2-methylphenyl]morpholine
CID 10295535
3-[2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
CID 10298788
3-[4-(3-benzylpiperidin-1-yl)butyl]-5-methyl-1H-indole
CID 70065387
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
8-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-2-methyl-4H-1,4-benzoxazin-3-one;2-hydroxy-5-methylbenzoic acid
CID 159660878

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole?
The IUPAC name of 3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole (CID 142655706) is 3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole.
What is the SMILES notation for 3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole?
The canonical SMILES for 3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole is Cc1ccc2[nH]cc(CCCN3CCN(c4ccccc4OC4=CC=C5OCCC5O4)CC3)c2c1.
What is the InChIKey of 3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole?
The InChIKey is RSUHUWHCLPHJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-21-8-9-24-23(19-21)22(20-30-24)5-4-13-31-14-16-32(17-15-31)25-6-2-3-7-26(25)34-29-11-10-27-28(35-29)12-18-33-27/h2-3,6-11,19-20,28,30H,4-5,12-18H2,1H3.
What are the key properties of 3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole?
3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole has a molecular weight of 471.60 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[2-(3,3a-dihydro-2H-furo[3,2-b]pyran-5-yloxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-indole is sourced from PubChem (CID 142655706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).