4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

C21H25FN2O3 — CID 120673262

IUPAC4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1
InChIInChI=1S/C21H25FN2O3/c22-16-5-6-17-18(12-23-19(17)11-16)13-7-9-24(10-8-13)20(25)14-1-3-15(4-2-14)21(26)27/h5-6,11-15,23H,1-4,7-10H2,(H,26,27)
InChIKeyZQGWAWMDMOHAPF-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.90
Rot. Bonds3

About 4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 120673262) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID120673262
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1
InChIInChI=1S/C21H25FN2O3/c22-16-5-6-17-18(12-23-19(17)11-16)13-7-9-24(10-8-13)20(25)14-1-3-15(4-2-14)21(26)27/h5-6,11-15,23H,1-4,7-10H2,(H,26,27)
InChIKeyZQGWAWMDMOHAPF-UHFFFAOYSA-N
XLogP3.90
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636397
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-methyl-2,3-dihydropyrazin-2-yl)methanone
CID 144855100
methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 91660760
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
CID 113087593
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 113087621
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087637
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 123328484
4-[[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-oxoacetyl]amino]butanoic acid
CID 167977981

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 120673262) is 4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1.
What is the InChIKey of 4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZQGWAWMDMOHAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c22-16-5-6-17-18(12-23-19(17)11-16)13-7-9-24(10-8-13)20(25)14-1-3-15(4-2-14)21(26)27/h5-6,11-15,23H,1-4,7-10H2,(H,26,27).
What are the key properties of 4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 372.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).