3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole

C24H29N3O — CID 11675208

IUPAC3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole
SMILESc1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)CCCO2
InChIInChI=1S/C24H29N3O/c1-2-9-22-20(7-1)19(18-25-22)6-4-12-26-13-15-27(16-14-26)23-10-3-11-24-21(23)8-5-17-28-24/h1-3,7,9-11,18,25H,4-6,8,12-17H2
InChIKeyVESYQRNECIQPBD-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.25
Rot. Bonds5

About 3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole

3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole (PubChem CID 11675208) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole
PubChem CID11675208
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole
SMILESc1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)CCCO2
InChIInChI=1S/C24H29N3O/c1-2-9-22-20(7-1)19(18-25-22)6-4-12-26-13-15-27(16-14-26)23-10-3-11-24-21(23)8-5-17-28-24/h1-3,7,9-11,18,25H,4-6,8,12-17H2
InChIKeyVESYQRNECIQPBD-UHFFFAOYSA-N
XLogP4.25
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole (CID 11675208) is 3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole is c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)CCCO2.
What is the InChIKey of 3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole?
The InChIKey is VESYQRNECIQPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-2-9-22-20(7-1)19(18-25-22)6-4-12-26-13-15-27(16-14-26)23-10-3-11-24-21(23)8-5-17-28-24/h1-3,7,9-11,18,25H,4-6,8,12-17H2.
What are the key properties of 3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole?
3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole has a molecular weight of 375.52 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3,4-dihydro-2H-chromen-5-yl)piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 11675208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).