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

C24H29N3O2 — CID 19438866

IUPAC3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCN3CCN(c4ccc5c(c4)CCCO5)CC3)c2c1
InChIInChI=1S/C24H29N3O2/c1-28-21-5-6-23-22(16-21)19(17-25-23)8-9-26-10-12-27(13-11-26)20-4-7-24-18(15-20)3-2-14-29-24/h4-7,15-17,25H,2-3,8-14H2,1H3
InChIKeyBVSOHPSQPZIGIG-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.87
Rot. Bonds5

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

3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole (PubChem CID 19438866) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole
PubChem CID19438866
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCN3CCN(c4ccc5c(c4)CCCO5)CC3)c2c1
InChIInChI=1S/C24H29N3O2/c1-28-21-5-6-23-22(16-21)19(17-25-23)8-9-26-10-12-27(13-11-26)20-4-7-24-18(15-20)3-2-14-29-24/h4-7,15-17,25H,2-3,8-14H2,1H3
InChIKeyBVSOHPSQPZIGIG-UHFFFAOYSA-N
XLogP3.87
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.87
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-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-1H-indole-5-carboxylate
CID 19438875
3-[1-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-2-yl]-5-methoxy-1H-indole
CID 139660266
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
2-(2,5-dimethoxyphenyl)-N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]acetamide
CID 46102324
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-amine
CID 19936462
3-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]propan-1-amine
CID 98019621
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-1H-indole
CID 69350318
1-[4-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]phenyl]pyridin-2-one
CID 118190841
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
5-bromo-3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-1H-indole
CID 19797312
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936429
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole (CID 19438866) is 3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(CCN3CCN(c4ccc5c(c4)CCCO5)CC3)c2c1.
What is the InChIKey of 3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole?
The InChIKey is BVSOHPSQPZIGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-28-21-5-6-23-22(16-21)19(17-25-23)8-9-26-10-12-27(13-11-26)20-4-7-24-18(15-20)3-2-14-29-24/h4-7,15-17,25H,2-3,8-14H2,1H3.
What are the key properties of 3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole?
3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole has a molecular weight of 391.52 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole is sourced from PubChem (CID 19438866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).