N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide

C28H36N4O3 — CID 59600252

IUPACN-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cc1
InChIInChI=1S/C28H36N4O3/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/h2-8,19,21-22,30,33H,9-18H2,1H3,(H,29,34)
InChIKeyLTALEXAJXQTSDJ-UHFFFAOYSA-N
MW476.62 g/mol
LogP3.49
Rot. Bonds7

About N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide

N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide (PubChem CID 59600252) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
PubChem CID59600252
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC NameN-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cc1
InChIInChI=1S/C28H36N4O3/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/h2-8,19,21-22,30,33H,9-18H2,1H3,(H,29,34)
InChIKeyLTALEXAJXQTSDJ-UHFFFAOYSA-N
XLogP3.49
TPSA80.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide (CID 59600252) is N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide is COc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCC(O)CC5)CC4)cc23)cc1.
What is the InChIKey of N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is LTALEXAJXQTSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/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/h2-8,19,21-22,30,33H,9-18H2,1H3,(H,29,34).
What are the key properties of N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide?
N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 59600252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).