1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole

C26H31N3O — CID 67713424

IUPAC1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole
SMILESCOc1ccc2c(ccn2CCCCc2c[nH]c3ccccc23)c1N1CCCCC1
InChIInChI=1S/C26H31N3O/c1-30-25-13-12-24-22(26(25)29-16-6-2-7-17-29)14-18-28(24)15-8-5-9-20-19-27-23-11-4-3-10-21(20)23/h3-4,10-14,18-19,27H,2,5-9,15-17H2,1H3
InChIKeyYFYCMIBFBXKAJX-UHFFFAOYSA-N
MW401.55 g/mol
LogP6.14
Rot. Bonds7

About 1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole

1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole (PubChem CID 67713424) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole.

Molecular Properties

Compound Name1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole
PubChem CID67713424
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole
SMILESCOc1ccc2c(ccn2CCCCc2c[nH]c3ccccc23)c1N1CCCCC1
InChIInChI=1S/C26H31N3O/c1-30-25-13-12-24-22(26(25)29-16-6-2-7-17-29)14-18-28(24)15-8-5-9-20-19-27-23-11-4-3-10-21(20)23/h3-4,10-14,18-19,27H,2,5-9,15-17H2,1H3
InChIKeyYFYCMIBFBXKAJX-UHFFFAOYSA-N
XLogP6.14
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indole-5-carboxamide
CID 67713147
1-[4-(5-carboxy-1H-indol-3-yl)butyl]-4-piperidin-1-ylindole-5-carboxylic acid
CID 67713632
3-[4-[3-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
CID 70044868
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-[4-[4-[5-(2-methoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464770
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine
CID 119125508
N-cyclohexyl-2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 71813992
(1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395844
3-(4,4-dimethylpentyl)-1H-indole
CID 58756842
3-[4-[4-(2-chloro-6-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 172554455

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole?
The IUPAC name of 1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole (CID 67713424) is 1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole.
What is the SMILES notation for 1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole?
The canonical SMILES for 1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole is COc1ccc2c(ccn2CCCCc2c[nH]c3ccccc23)c1N1CCCCC1.
What is the InChIKey of 1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole?
The InChIKey is YFYCMIBFBXKAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-30-25-13-12-24-22(26(25)29-16-6-2-7-17-29)14-18-28(24)15-8-5-9-20-19-27-23-11-4-3-10-21(20)23/h3-4,10-14,18-19,27H,2,5-9,15-17H2,1H3.
What are the key properties of 1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole?
1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole has a molecular weight of 401.55 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-3-yl)butyl]-5-methoxy-4-piperidin-1-ylindole is sourced from PubChem (CID 67713424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).