3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid

C24H28N2O3 — CID 19786713

IUPAC3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(CCCCN3CCCC(c4cccc(O)c4)C3)c[nH]c2c1
InChIInChI=1S/C24H28N2O3/c27-21-8-3-6-17(13-21)20-7-4-12-26(16-20)11-2-1-5-19-15-25-23-14-18(24(28)29)9-10-22(19)23/h3,6,8-10,13-15,20,25,27H,1-2,4-5,7,11-12,16H2,(H,28,29)
InChIKeyZWZCHYNOMXISQC-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.77
Rot. Bonds7

About 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid

3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid (PubChem CID 19786713) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid
PubChem CID19786713
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(CCCCN3CCCC(c4cccc(O)c4)C3)c[nH]c2c1
InChIInChI=1S/C24H28N2O3/c27-21-8-3-6-17(13-21)20-7-4-12-26(16-20)11-2-1-5-19-15-25-23-14-18(24(28)29)9-10-22(19)23/h3,6,8-10,13-15,20,25,27H,1-2,4-5,7,11-12,16H2,(H,28,29)
InChIKeyZWZCHYNOMXISQC-UHFFFAOYSA-N
XLogP4.77
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol
CID 70044177
3-[4-[3-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19786740
3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole
CID 70046463
3-[4-[4-(4-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxamide
CID 19786736
3-[(3S)-1-butylpiperidin-3-yl]phenol
CID 12937975
7-bromo-3-[4-(3-phenylpiperidin-1-yl)butyl]-1H-indole
CID 70046544
3-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol
CID 70044138
3-octyl-1H-indole-6-carboxylic acid
CID 12797257
3-hexadecyl-1H-indole-6-carboxylic acid
CID 12797258
3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzoic acid
CID 72871214
3-[4-(9-hydroxy-1,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydroindeno[2,1-c]pyridin-2-yl)butyl]-1H-indole-5-carboxylic acid
CID 57109142
3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole
CID 70044838

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid?
The IUPAC name of 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid (CID 19786713) is 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid.
What is the SMILES notation for 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid?
The canonical SMILES for 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid is O=C(O)c1ccc2c(CCCCN3CCCC(c4cccc(O)c4)C3)c[nH]c2c1.
What is the InChIKey of 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid?
The InChIKey is ZWZCHYNOMXISQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-21-8-3-6-17(13-21)20-7-4-12-26(16-20)11-2-1-5-19-15-25-23-14-18(24(28)29)9-10-22(19)23/h3,6,8-10,13-15,20,25,27H,1-2,4-5,7,11-12,16H2,(H,28,29).
What are the key properties of 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid?
3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid has a molecular weight of 392.50 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid is sourced from PubChem (CID 19786713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).