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

C57H75N9O4 — CID 159363735

IUPACN-[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
SMILESCCOc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCC5)CC4)cc23)cc1.COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCCC5)CC4)cc23)cn1
InChIInChI=1S/C29H38N4O2.C28H37N5O2/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;1-35-27-10-9-21(20-29-27)23-7-6-8-25-24(23)19-26(31-25)28(34)30-22-11-15-33(16-12-22)18-17-32-13-4-2-3-5-14-32/h6-12,21,23,31H,2-5,13-20H2,1H3,(H,30,34);6-10,19-20,22,31H,2-5,11-18H2,1H3,(H,30,34)
InChIKeyLIWAHUGVMOKDIM-UHFFFAOYSA-N
MW950.29 g/mol
LogP9.22
Rot. Bonds15

About 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

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 (PubChem CID 159363735) has the molecular formula C57H75N9O4 and a molecular weight of 950.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID159363735
Molecular FormulaC57H75N9O4
Molecular Weight950.29 g/mol
Exact Mass949.59
IUPAC NameN-[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
SMILESCCOc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCC5)CC4)cc23)cc1.COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCCC5)CC4)cc23)cn1
InChIInChI=1S/C29H38N4O2.C28H37N5O2/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;1-35-27-10-9-21(20-29-27)23-7-6-8-25-24(23)19-26(31-25)28(34)30-22-11-15-33(16-12-22)18-17-32-13-4-2-3-5-14-32/h6-12,21,23,31H,2-5,13-20H2,1H3,(H,30,34);6-10,19-20,22,31H,2-5,11-18H2,1H3,(H,30,34)
InChIKeyLIWAHUGVMOKDIM-UHFFFAOYSA-N
XLogP9.22
TPSA134.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.29
LogP ≤ 59.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 59600252
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
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2,4-dimethoxyphenyl)-1H-indole-2-carboxamide
CID 59600225
4-(4-ethoxyphenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide
CID 66841712
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
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-(2-methylpropoxy)-1H-indole-2-carboxamide
CID 11442047
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(3,5-difluorophenoxy)-1H-indole-2-carboxamide
CID 59600234
4-(4-ethoxyphenyl)-1H-indole-2-carboxylic acid
CID 66841435
[4-(6-methoxy-3-pyridinyl)-1H-indol-2-yl] N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate
CID 69030113
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCC5)CC4)cc23)cc1.COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCCC5)CC4)cc23)cn1.
What is the InChIKey of 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?
The InChIKey is LIWAHUGVMOKDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2.C28H37N5O2/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;1-35-27-10-9-21(20-29-27)23-7-6-8-25-24(23)19-26(31-25)28(34)30-22-11-15-33(16-12-22)18-17-32-13-4-2-3-5-14-32/h6-12,21,23,31H,2-5,13-20H2,1H3,(H,30,34);6-10,19-20,22,31H,2-5,11-18H2,1H3,(H,30,34).
What are the key properties of 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?
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 has a molecular weight of 950.29 g/mol, XLogP of 9.22, 15 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159363735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).