N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid

C43H48N6O6 — CID 157468283

IUPACN-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
SMILESCOc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cn1.COc1ccc(-c2cccc3[nH]c(C(=O)O)cc23)cc1
InChIInChI=1S/C27H35N5O3.C16H13NO3/c1-35-26-6-5-19(18-28-26)22-3-2-4-24-23(22)17-25(30-24)27(34)29-20-7-11-31(12-8-20)15-16-32-13-9-21(33)10-14-32;1-20-11-7-5-10(6-8-11)12-3-2-4-14-13(12)9-15(17-14)16(18)19/h2-6,17-18,20-21,30,33H,7-16H2,1H3,(H,29,34);2-9,17H,1H3,(H,18,19)
InChIKeyBUSPDLZYTWDQMD-UHFFFAOYSA-N
MW744.89 g/mol
LogP6.43
Rot. Bonds10

About N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid

N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid (PubChem CID 157468283) has the molecular formula C43H48N6O6 and a molecular weight of 744.89 g/mol. Its IUPAC name is N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound NameN-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
PubChem CID157468283
Molecular FormulaC43H48N6O6
Molecular Weight744.89 g/mol
Exact Mass744.36
IUPAC NameN-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid
SMILESCOc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cn1.COc1ccc(-c2cccc3[nH]c(C(=O)O)cc23)cc1
InChIInChI=1S/C27H35N5O3.C16H13NO3/c1-35-26-6-5-19(18-28-26)22-3-2-4-24-23(22)17-25(30-24)27(34)29-20-7-11-31(12-8-20)15-16-32-13-9-21(33)10-14-32;1-20-11-7-5-10(6-8-11)12-3-2-4-14-13(12)9-15(17-14)16(18)19/h2-6,17-18,20-21,30,33H,7-16H2,1H3,(H,29,34);2-9,17H,1H3,(H,18,19)
InChIKeyBUSPDLZYTWDQMD-UHFFFAOYSA-N
XLogP6.43
TPSA156.04 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.89
LogP ≤ 56.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-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 N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid?
The IUPAC name of N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid (CID 157468283) is N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid is COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cn1.COc1ccc(-c2cccc3[nH]c(C(=O)O)cc23)cc1.
What is the InChIKey of N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid?
The InChIKey is BUSPDLZYTWDQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3.C16H13NO3/c1-35-26-6-5-19(18-28-26)22-3-2-4-24-23(22)17-25(30-24)27(34)29-20-7-11-31(12-8-20)15-16-32-13-9-21(33)10-14-32;1-20-11-7-5-10(6-8-11)12-3-2-4-14-13(12)9-15(17-14)16(18)19/h2-6,17-18,20-21,30,33H,7-16H2,1H3,(H,29,34);2-9,17H,1H3,(H,18,19).
What are the key properties of N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid?
N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid has a molecular weight of 744.89 g/mol, XLogP of 6.43, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(6-methoxy-3-pyridinyl)-1H-indole-2-carboxamide;4-(4-methoxyphenyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 157468283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).