3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole

C25H29N3O2 — CID 68837148

IUPAC3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole
SMILESC1=CCCC(C2=COC(N3CCN(CCCc4c[nH]c5ccccc45)CC3)=CO2)=C1
InChIInChI=1S/C25H29N3O2/c1-2-7-20(8-3-1)24-18-30-25(19-29-24)28-15-13-27(14-16-28)12-6-9-21-17-26-23-11-5-4-10-22(21)23/h1-2,4-5,7,10-11,17-19,26H,3,6,8-9,12-16H2
InChIKeyUKVJLHGEQQUFET-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.68
Rot. Bonds6

About 3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole

3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole (PubChem CID 68837148) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole
PubChem CID68837148
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole
SMILESC1=CCCC(C2=COC(N3CCN(CCCc4c[nH]c5ccccc45)CC3)=CO2)=C1
InChIInChI=1S/C25H29N3O2/c1-2-7-20(8-3-1)24-18-30-25(19-29-24)28-15-13-27(14-16-28)12-6-9-21-17-26-23-11-5-4-10-22(21)23/h1-2,4-5,7,10-11,17-19,26H,3,6,8-9,12-16H2
InChIKeyUKVJLHGEQQUFET-UHFFFAOYSA-N
XLogP4.68
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole with MolForge

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Related Compounds

3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole
CID 155606108
4-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2-methylphenyl]morpholine
CID 10295535
ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole
CID 159917122
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
CID 10089396
5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 11567753
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
8-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 11553516
3-[4-[4-[5-(2,4-difluorophenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464768

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole (CID 68837148) is 3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole is C1=CCCC(C2=COC(N3CCN(CCCc4c[nH]c5ccccc45)CC3)=CO2)=C1.
What is the InChIKey of 3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole?
The InChIKey is UKVJLHGEQQUFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-2-7-20(8-3-1)24-18-30-25(19-29-24)28-15-13-27(14-16-28)12-6-9-21-17-26-23-11-5-4-10-22(21)23/h1-2,4-5,7,10-11,17-19,26H,3,6,8-9,12-16H2.
What are the key properties of 3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole?
3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole has a molecular weight of 403.53 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 68837148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).