5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide

C28H32N4O2 — CID 122183772

IUPAC5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCCCN3CCN(c4cccc5ccccc45)CC3)cc2c1
InChIInChI=1S/C28H32N4O2/c1-34-23-11-12-25-22(19-23)20-26(30-25)28(33)29-13-4-5-14-31-15-17-32(18-16-31)27-10-6-8-21-7-2-3-9-24(21)27/h2-3,6-12,19-20,30H,4-5,13-18H2,1H3,(H,29,33)
InChIKeyCGCDEESEQCYCIB-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.66
Rot. Bonds8

About 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide

5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide (PubChem CID 122183772) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide
PubChem CID122183772
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCCCCN3CCN(c4cccc5ccccc45)CC3)cc2c1
InChIInChI=1S/C28H32N4O2/c1-34-23-11-12-25-22(19-23)20-26(30-25)28(33)29-13-4-5-14-31-15-17-32(18-16-31)27-10-6-8-21-7-2-3-9-24(21)27/h2-3,6-12,19-20,30H,4-5,13-18H2,1H3,(H,29,33)
InChIKeyCGCDEESEQCYCIB-UHFFFAOYSA-N
XLogP4.66
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Hortiacine
CID 378227
LM-4108
CID 4292
Asp-9521
CID 25210792
2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
CID 87372
Del-22379
CID 11224574
[4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium
CID 446978
N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
Piperazine, 1-((5-methoxyindol-2-yl)carbonyl)-4-methyl-
CID 206876
(S)-(4-(2-((5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)(propyl)amino)ethyl)piperazin-1-yl)(1H-indol-2-yl)methanone
CID 45486362
D-64131
CID 3921152
Indolocarbazole deriv. 3e
CID 5327852
Vegfr-2-IN-9
CID 5329372

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide (CID 122183772) is 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCCCCN3CCN(c4cccc5ccccc45)CC3)cc2c1.
What is the InChIKey of 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide?
The InChIKey is CGCDEESEQCYCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-34-23-11-12-25-22(19-23)20-26(30-25)28(33)29-13-4-5-14-31-15-17-32(18-16-31)27-10-6-8-21-7-2-3-9-24(21)27/h2-3,6-12,19-20,30H,4-5,13-18H2,1H3,(H,29,33).
What are the key properties of 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide?
5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 122183772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).