4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid

C45H51N5O5 — CID 157115404

IUPAC4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
SMILESCCOc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCC5)CC4)cc23)cc1.COc1ccc(-c2cccc3[nH]c(C(=O)O)cc23)cc1
InChIInChI=1S/C29H38N4O2.C16H13NO3/c1-2-35-24-11-9-22(10-12-24)25-7-6-8-27-26(25)21-28(31-27)29(34)30-23-13-17-33(18-14-23)20-19-32-15-4-3-5-16-32;1-20-11-7-5-10(6-8-11)12-3-2-4-14-13(12)9-15(17-14)16(18)19/h6-12,21,23,31H,2-5,13-20H2,1H3,(H,30,34);2-9,17H,1H3,(H,18,19)
InChIKeyAHIKFDKVWXCNHD-UHFFFAOYSA-N
MW741.93 g/mol
LogP8.46
Rot. Bonds11

About 4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid

4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid (PubChem CID 157115404) has the molecular formula C45H51N5O5 and a molecular weight of 741.93 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
PubChem CID157115404
Molecular FormulaC45H51N5O5
Molecular Weight741.93 g/mol
Exact Mass741.39
IUPAC Name4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
SMILESCCOc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCC5)CC4)cc23)cc1.COc1ccc(-c2cccc3[nH]c(C(=O)O)cc23)cc1
InChIInChI=1S/C29H38N4O2.C16H13NO3/c1-2-35-24-11-9-22(10-12-24)25-7-6-8-27-26(25)21-28(31-27)29(34)30-23-13-17-33(18-14-23)20-19-32-15-4-3-5-16-32;1-20-11-7-5-10(6-8-11)12-3-2-4-14-13(12)9-15(17-14)16(18)19/h6-12,21,23,31H,2-5,13-20H2,1H3,(H,30,34);2-9,17H,1H3,(H,18,19)
InChIKeyAHIKFDKVWXCNHD-UHFFFAOYSA-N
XLogP8.46
TPSA122.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.93
LogP ≤ 58.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid (CID 157115404) is 4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid is CCOc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCC5)CC4)cc23)cc1.COc1ccc(-c2cccc3[nH]c(C(=O)O)cc23)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid?
The InChIKey is AHIKFDKVWXCNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2.C16H13NO3/c1-2-35-24-11-9-22(10-12-24)25-7-6-8-27-26(25)21-28(31-27)29(34)30-23-13-17-33(18-14-23)20-19-32-15-4-3-5-16-32;1-20-11-7-5-10(6-8-11)12-3-2-4-14-13(12)9-15(17-14)16(18)19/h6-12,21,23,31H,2-5,13-20H2,1H3,(H,30,34);2-9,17H,1H3,(H,18,19).
What are the key properties of 4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid?
4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid has a molecular weight of 741.93 g/mol, XLogP of 8.46, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 157115404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).