4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide

C23H31BrN4O2 — CID 66841447

IUPAC4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(CCN2C3CCC2CC(O)C3)CC1)c1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C23H31BrN4O2/c24-20-2-1-3-21-19(20)14-22(26-21)23(30)25-15-6-8-27(9-7-15)10-11-28-16-4-5-17(28)13-18(29)12-16/h1-3,14-18,26,29H,4-13H2,(H,25,30)
InChIKeyNCBXVEBLUUUXGB-UHFFFAOYSA-N
MW475.43 g/mol
LogP3.11
Rot. Bonds5

About 4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide

4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide (PubChem CID 66841447) has the molecular formula C23H31BrN4O2 and a molecular weight of 475.43 g/mol. Its IUPAC name is 4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
PubChem CID66841447
Molecular FormulaC23H31BrN4O2
Molecular Weight475.43 g/mol
Exact Mass474.16
IUPAC Name4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(CCN2C3CCC2CC(O)C3)CC1)c1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C23H31BrN4O2/c24-20-2-1-3-21-19(20)14-22(26-21)23(30)25-15-6-8-27(9-7-15)10-11-28-16-4-5-17(28)13-18(29)12-16/h1-3,14-18,26,29H,4-13H2,(H,25,30)
InChIKeyNCBXVEBLUUUXGB-UHFFFAOYSA-N
XLogP3.11
TPSA71.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide
CID 143088228
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-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 59600252
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide
CID 56807656
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
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(4-fluorophenoxy)-1H-indole-2-carboxamide
CID 59600126
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-(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-fluoro-N-(4-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 134010426
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
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2,4-dimethoxyphenyl)-1H-indole-2-carboxamide
CID 59600225

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of 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) is 4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide is O=C(NC1CCN(CCN2C3CCC2CC(O)C3)CC1)c1cc2c(Br)cccc2[nH]1.
What is the InChIKey of 4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The InChIKey is NCBXVEBLUUUXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31BrN4O2/c24-20-2-1-3-21-19(20)14-22(26-21)23(30)25-15-6-8-27(9-7-15)10-11-28-16-4-5-17(28)13-18(29)12-16/h1-3,14-18,26,29H,4-13H2,(H,25,30).
What are the key properties of 4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide has a molecular weight of 475.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 66841447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).