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

C45H51N5O6 — CID 158308065

IUPAC4-(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
SMILESCCOc1ccc(-c2cccc3[nH]c(C(=O)O)cc23)cc1.COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cc1
InChIInChI=1S/C28H36N4O3.C17H15NO3/c1-35-23-7-5-20(6-8-23)24-3-2-4-26-25(24)19-27(30-26)28(34)29-21-9-13-31(14-10-21)17-18-32-15-11-22(33)12-16-32;1-2-21-12-8-6-11(7-9-12)13-4-3-5-15-14(13)10-16(18-15)17(19)20/h2-8,19,21-22,30,33H,9-18H2,1H3,(H,29,34);3-10,18H,2H2,1H3,(H,19,20)
InChIKeyGNIKDVWLXLUSQZ-UHFFFAOYSA-N
MW757.93 g/mol
LogP7.43
Rot. Bonds11

About 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

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 (PubChem CID 158308065) has the molecular formula C45H51N5O6 and a molecular weight of 757.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID158308065
Molecular FormulaC45H51N5O6
Molecular Weight757.93 g/mol
Exact Mass757.38
IUPAC Name4-(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
SMILESCCOc1ccc(-c2cccc3[nH]c(C(=O)O)cc23)cc1.COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cc1
InChIInChI=1S/C28H36N4O3.C17H15NO3/c1-35-23-7-5-20(6-8-23)24-3-2-4-26-25(24)19-27(30-26)28(34)29-21-9-13-31(14-10-21)17-18-32-15-11-22(33)12-16-32;1-2-21-12-8-6-11(7-9-12)13-4-3-5-15-14(13)10-16(18-15)17(19)20/h2-8,19,21-22,30,33H,9-18H2,1H3,(H,29,34);3-10,18H,2H2,1H3,(H,19,20)
InChIKeyGNIKDVWLXLUSQZ-UHFFFAOYSA-N
XLogP7.43
TPSA143.15 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.93
LogP ≤ 57.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 59600252
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 159363735
1-[2-(azepan-1-yl)ethyl]piperidin-4-amine;N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(3-cyanophenyl)-1H-indole-2-carboxamide;4-(4-ethoxyphenyl)-1H-indole-2-carboxylic acid
CID 172764916
4-(4-ethoxyphenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide
CID 66841712
4-(4-ethoxyphenyl)-1H-indole-2-carboxylic acid
CID 66841435
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2,4-dimethoxyphenyl)-1H-indole-2-carboxamide
CID 59600225
1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-4-amine;N-[1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-4-yl]-4-(4-ethoxyphenyl)-1H-indole-2-carboxamide
CID 172862131
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
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-[(7-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide
CID 11157522
4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 66841447
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(4-fluorophenoxy)-1H-indole-2-carboxamide
CID 59600126

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1ccc(-c2cccc3[nH]c(C(=O)O)cc23)cc1.COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cc1.
What is the InChIKey of 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?
The InChIKey is GNIKDVWLXLUSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3.C17H15NO3/c1-35-23-7-5-20(6-8-23)24-3-2-4-26-25(24)19-27(30-26)28(34)29-21-9-13-31(14-10-21)17-18-32-15-11-22(33)12-16-32;1-2-21-12-8-6-11(7-9-12)13-4-3-5-15-14(13)10-16(18-15)17(19)20/h2-8,19,21-22,30,33H,9-18H2,1H3,(H,29,34);3-10,18H,2H2,1H3,(H,19,20).
What are the key properties of 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?
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 has a molecular weight of 757.93 g/mol, XLogP of 7.43, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158308065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).