7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one

C25H27N3O3 — CID 21190411

IUPAC7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one
SMILESO=c1ccc2cc(N3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(O)cc2o1
InChIInChI=1S/C25H27N3O3/c29-23-16-24-18(8-9-25(30)31-24)15-22(23)28-13-11-27(12-14-28)10-4-3-5-19-17-26-21-7-2-1-6-20(19)21/h1-2,6-9,15-17,26,29H,3-5,10-14H2
InChIKeyQAYPRMWWZPFMDO-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.12
Rot. Bonds6

About 7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one

7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one (PubChem CID 21190411) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one
PubChem CID21190411
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one
SMILESO=c1ccc2cc(N3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(O)cc2o1
InChIInChI=1S/C25H27N3O3/c29-23-16-24-18(8-9-25(30)31-24)15-22(23)28-13-11-27(12-14-28)10-4-3-5-19-17-26-21-7-2-1-6-20(19)21/h1-2,6-9,15-17,26,29H,3-5,10-14H2
InChIKeyQAYPRMWWZPFMDO-UHFFFAOYSA-N
XLogP4.12
TPSA72.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-[4-(7-fluoro-2-oxochromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate
CID 21190460
methyl 3-[4-[4-(2-oxochromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate
CID 15859292
3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-[4-[4-(7-fluoro-2-oxochromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 21190443
8-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 11553516
bis((Z)-but-2-enedioic acid);2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]quinoline
CID 12672141
N'-[2-(1H-indol-3-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902823
4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol
CID 155776079
4-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2-methylphenyl]morpholine
CID 10295535
methyl 3-[4-[4-(7-fluoro-2-oxochromen-4-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate
CID 21190447
3-[4-[4-(2,4-dihydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 57229461

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one?
The IUPAC name of 7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one (CID 21190411) is 7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one?
The canonical SMILES for 7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one is O=c1ccc2cc(N3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(O)cc2o1.
What is the InChIKey of 7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one?
The InChIKey is QAYPRMWWZPFMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-23-16-24-18(8-9-25(30)31-24)15-22(23)28-13-11-27(12-14-28)10-4-3-5-19-17-26-21-7-2-1-6-20(19)21/h1-2,6-9,15-17,26,29H,3-5,10-14H2.
What are the key properties of 7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one?
7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one has a molecular weight of 417.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]chromen-2-one is sourced from PubChem (CID 21190411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).