N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide

C26H30BrN3O — CID 11145276

IUPACN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NC1CCc2cc(Br)ccc2C1)C1CCN(CCc2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H30BrN3O/c27-22-7-5-20-16-23(8-6-19(20)15-22)29-26(31)18-9-12-30(13-10-18)14-11-24-17-21-3-1-2-4-25(21)28-24/h1-5,7,15,17-18,23,28H,6,8-14,16H2,(H,29,31)
InChIKeyIXKVYFWCMWDIAE-UHFFFAOYSA-N
MW480.45 g/mol
LogP4.86
Rot. Bonds5

About N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 11145276) has the molecular formula C26H30BrN3O and a molecular weight of 480.45 g/mol. Its IUPAC name is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID11145276
Molecular FormulaC26H30BrN3O
Molecular Weight480.45 g/mol
Exact Mass479.16
IUPAC NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NC1CCc2cc(Br)ccc2C1)C1CCN(CCc2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H30BrN3O/c27-22-7-5-20-16-23(8-6-19(20)15-22)29-26(31)18-9-12-30(13-10-18)14-11-24-17-21-3-1-2-4-25(21)28-24/h1-5,7,15,17-18,23,28H,6,8-14,16H2,(H,29,31)
InChIKeyIXKVYFWCMWDIAE-UHFFFAOYSA-N
XLogP4.86
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide (CID 11145276) is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide is O=C(NC1CCc2cc(Br)ccc2C1)C1CCN(CCc2cc3ccccc3[nH]2)CC1.
What is the InChIKey of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is IXKVYFWCMWDIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30BrN3O/c27-22-7-5-20-16-23(8-6-19(20)15-22)29-26(31)18-9-12-30(13-10-18)14-11-24-17-21-3-1-2-4-25(21)28-24/h1-5,7,15,17-18,23,28H,6,8-14,16H2,(H,29,31).
What are the key properties of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide?
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 480.45 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 11145276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).