4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid

C42H43F2N5O6 — CID 160521933

IUPAC4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid
SMILESO=C(NC1CCN(CCN2CCC(O)CC2)CC1)c1cc2c(Oc3cccc(F)c3)cccc2[nH]1.O=C(O)c1cc2c(Oc3ccc(F)cc3)cccc2[nH]1
InChIInChI=1S/C27H33FN4O3.C15H10FNO3/c28-19-3-1-4-22(17-19)35-26-6-2-5-24-23(26)18-25(30-24)27(34)29-20-7-11-31(12-8-20)15-16-32-13-9-21(33)10-14-32;16-9-4-6-10(7-5-9)20-14-3-1-2-12-11(14)8-13(17-12)15(18)19/h1-6,17-18,20-21,30,33H,7-16H2,(H,29,34);1-8,17H,(H,18,19)
InChIKeyQUJRZYAYGMLHQV-UHFFFAOYSA-N
MW751.83 g/mol
LogP7.55
Rot. Bonds10

About 4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid

4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid (PubChem CID 160521933) has the molecular formula C42H43F2N5O6 and a molecular weight of 751.83 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid
PubChem CID160521933
Molecular FormulaC42H43F2N5O6
Molecular Weight751.83 g/mol
Exact Mass751.32
IUPAC Name4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid
SMILESO=C(NC1CCN(CCN2CCC(O)CC2)CC1)c1cc2c(Oc3cccc(F)c3)cccc2[nH]1.O=C(O)c1cc2c(Oc3ccc(F)cc3)cccc2[nH]1
InChIInChI=1S/C27H33FN4O3.C15H10FNO3/c28-19-3-1-4-22(17-19)35-26-6-2-5-24-23(26)18-25(30-24)27(34)29-20-7-11-31(12-8-20)15-16-32-13-9-21(33)10-14-32;16-9-4-6-10(7-5-9)20-14-3-1-2-12-11(14)8-13(17-12)15(18)19/h1-6,17-18,20-21,30,33H,7-16H2,(H,29,34);1-8,17H,(H,18,19)
InChIKeyQUJRZYAYGMLHQV-UHFFFAOYSA-N
XLogP7.55
TPSA143.15 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.83
LogP ≤ 57.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid with MolForge

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Related Compounds

N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(4-fluorophenoxy)-1H-indole-2-carboxamide
CID 59600126
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(3,5-difluorophenoxy)-1H-indole-2-carboxamide
CID 59600234
4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 59600191
N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 59600252
4-(4-ethoxyphenyl)-1H-indole-2-carboxylic acid;N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 158308065
[4-(4-fluorophenoxy)-1H-indol-2-yl] N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate
CID 69028939
N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-[(7-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide
CID 11157522
4-(cyclobutylmethoxy)-N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(cyclobutylmethoxy)-1H-indole-2-carboxylic acid
CID 158124989
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide
CID 11442047
4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 11365284
4-phenoxy-1H-indole-2-carboxylic acid
CID 59600239
4-fluoro-N-(4-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 134010426

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid?
The IUPAC name of 4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid (CID 160521933) is 4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid is O=C(NC1CCN(CCN2CCC(O)CC2)CC1)c1cc2c(Oc3cccc(F)c3)cccc2[nH]1.O=C(O)c1cc2c(Oc3ccc(F)cc3)cccc2[nH]1.
What is the InChIKey of 4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid?
The InChIKey is QUJRZYAYGMLHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O3.C15H10FNO3/c28-19-3-1-4-22(17-19)35-26-6-2-5-24-23(26)18-25(30-24)27(34)29-20-7-11-31(12-8-20)15-16-32-13-9-21(33)10-14-32;16-9-4-6-10(7-5-9)20-14-3-1-2-12-11(14)8-13(17-12)15(18)19/h1-6,17-18,20-21,30,33H,7-16H2,(H,29,34);1-8,17H,(H,18,19).
What are the key properties of 4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid?
4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid has a molecular weight of 751.83 g/mol, XLogP of 7.55, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 160521933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).