3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole

C25H31N3O2 — CID 139660266

IUPAC3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C(C)CN3CCN(c4ccc5c(c4)CCCO5)CC3)c2c1
InChIInChI=1S/C25H31N3O2/c1-18(23-16-26-24-7-6-21(29-2)15-22(23)24)17-27-9-11-28(12-10-27)20-5-8-25-19(14-20)4-3-13-30-25/h5-8,14-16,18,26H,3-4,9-13,17H2,1-2H3
InChIKeyHFPIOCGNNJHYDQ-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.43
Rot. Bonds5

About 3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole

3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole (PubChem CID 139660266) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole
PubChem CID139660266
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C(C)CN3CCN(c4ccc5c(c4)CCCO5)CC3)c2c1
InChIInChI=1S/C25H31N3O2/c1-18(23-16-26-24-7-6-21(29-2)15-22(23)24)17-27-9-11-28(12-10-27)20-5-8-25-19(14-20)4-3-13-30-25/h5-8,14-16,18,26H,3-4,9-13,17H2,1-2H3
InChIKeyHFPIOCGNNJHYDQ-UHFFFAOYSA-N
XLogP4.43
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole with MolForge

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Related Compounds

3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole
CID 19438866
ethyl 3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-1H-indole-5-carboxylate
CID 19438875
(1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
CID 2003978
3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine
CID 98019621
1-(3,4-dihydro-2H-chromen-6-yl)piperazine
CID 15485010
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 2037410
1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol
CID 3254372
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole
CID 69350318
3-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-6-methoxy-1H-indole;3-(6-methoxy-1H-indol-3-yl)propan-1-amine
CID 67856424
(1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol
CID 51872207
1-(3,4-dihydro-2H-chromen-6-yl)-4-[(4-methylphenyl)methyl]piperazine;oxalic acid
CID 18399632
5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171286352

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole?
The IUPAC name of 3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole (CID 139660266) is 3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(C(C)CN3CCN(c4ccc5c(c4)CCCO5)CC3)c2c1.
What is the InChIKey of 3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole?
The InChIKey is HFPIOCGNNJHYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-18(23-16-26-24-7-6-21(29-2)15-22(23)24)17-27-9-11-28(12-10-27)20-5-8-25-19(14-20)4-3-13-30-25/h5-8,14-16,18,26H,3-4,9-13,17H2,1-2H3.
What are the key properties of 3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole?
3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole has a molecular weight of 405.54 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole is sourced from PubChem (CID 139660266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).