9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid

C30H38N2O3 — CID 174461621

IUPAC9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid
SMILESO=C(CC1CCCCC1)N1CCN(CCCCC2(C(=O)O)c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C30H38N2O3/c33-28(22-23-10-2-1-3-11-23)32-20-18-31(19-21-32)17-9-8-16-30(29(34)35)26-14-6-4-12-24(26)25-13-5-7-15-27(25)30/h4-7,12-15,23H,1-3,8-11,16-22H2,(H,34,35)
InChIKeySUQZCZCWAIIMQJ-UHFFFAOYSA-N
MW474.65 g/mol
LogP5.32
Rot. Bonds8

About 9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid

9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid (PubChem CID 174461621) has the molecular formula C30H38N2O3 and a molecular weight of 474.65 g/mol. Its IUPAC name is 9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid.

Molecular Properties

Compound Name9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid
PubChem CID174461621
Molecular FormulaC30H38N2O3
Molecular Weight474.65 g/mol
Exact Mass474.29
IUPAC Name9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid
SMILESO=C(CC1CCCCC1)N1CCN(CCCCC2(C(=O)O)c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C30H38N2O3/c33-28(22-23-10-2-1-3-11-23)32-20-18-31(19-21-32)17-9-8-16-30(29(34)35)26-14-6-4-12-24(26)25-13-5-7-15-27(25)30/h4-7,12-15,23H,1-3,8-11,16-22H2,(H,34,35)
InChIKeySUQZCZCWAIIMQJ-UHFFFAOYSA-N
XLogP5.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.32
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

9-[4-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]butyl]fluorene-9-carboxylic acid
CID 141040025
9-[4-[4-(phenylcarbamoyl)-1,4-diazepan-1-yl]butyl]fluorene-9-carboxylic acid
CID 150262037
9-[4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]butyl]fluorene-9-carboxylic acid
CID 141040006
9-[4-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]butyl]-N-[2,2,2-tris(phosphanyl)ethyl]fluorene-9-carboxamide
CID 163532707
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
9-[4-[4-[2-[4-(methoxymethyl)phenyl]acetyl]piperazin-1-yl]butyl]fluorene-9-carboxylic acid;2,2,2-trifluoroethanamine
CID 171932095
9-[4-[4-[2-(3,4-dichlorophenyl)acetyl]piperazin-1-yl]butyl]fluorene-9-carboxylic acid;2,2,2-trifluoroethanamine
CID 162621753
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
3-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]benzoic acid
CID 122028917
9-[4-(4-phenylpiperazin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 15475487
2-[6-[4-(2-cyclohexylacetyl)piperazin-1-yl]hexyl]pyridine-3-carboxamide
CID 68739894
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 78788737

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid?
The IUPAC name of 9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid (CID 174461621) is 9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid.
What is the SMILES notation for 9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid?
The canonical SMILES for 9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid is O=C(CC1CCCCC1)N1CCN(CCCCC2(C(=O)O)c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid?
The InChIKey is SUQZCZCWAIIMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O3/c33-28(22-23-10-2-1-3-11-23)32-20-18-31(19-21-32)17-9-8-16-30(29(34)35)26-14-6-4-12-24(26)25-13-5-7-15-27(25)30/h4-7,12-15,23H,1-3,8-11,16-22H2,(H,34,35).
What are the key properties of 9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid?
9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid has a molecular weight of 474.65 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid is sourced from PubChem (CID 174461621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).