1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone

C24H35N3O — CID 56642298

IUPAC1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(ccn2CCCCN2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C24H35N3O/c1-20(28)21-9-10-24-22(19-21)11-14-27(24)13-6-5-12-25-15-17-26(18-16-25)23-7-3-2-4-8-23/h9-11,14,19,23H,2-8,12-13,15-18H2,1H3
InChIKeyVKNQVKGJLRHBSN-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.57
Rot. Bonds7

About 1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone

1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone (PubChem CID 56642298) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone
PubChem CID56642298
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(ccn2CCCCN2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C24H35N3O/c1-20(28)21-9-10-24-22(19-21)11-14-27(24)13-6-5-12-25-15-17-26(18-16-25)23-7-3-2-4-8-23/h9-11,14,19,23H,2-8,12-13,15-18H2,1H3
InChIKeyVKNQVKGJLRHBSN-UHFFFAOYSA-N
XLogP4.57
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh 122
CID 44466638
Jwh-200
CID 10045570
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(R,S)-AM1241
CID 10141893
AM-1220, (+-)-
CID 9929889
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340
(4-Fluoronaphthalen-1-yl)(1-pentyl-1h-indol-3-yl)methanone
CID 71454236
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
[1-[(1-Methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11537652

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone?
The IUPAC name of 1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone (CID 56642298) is 1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone?
The canonical SMILES for 1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone is CC(=O)c1ccc2c(ccn2CCCCN2CCN(C3CCCCC3)CC2)c1.
What is the InChIKey of 1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone?
The InChIKey is VKNQVKGJLRHBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-20(28)21-9-10-24-22(19-21)11-14-27(24)13-6-5-12-25-15-17-26(18-16-25)23-7-3-2-4-8-23/h9-11,14,19,23H,2-8,12-13,15-18H2,1H3.
What are the key properties of 1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone?
1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone has a molecular weight of 381.56 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-cyclohexylpiperazin-1-yl)butyl]indol-5-yl]ethanone is sourced from PubChem (CID 56642298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).