N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide

C19H25N3O — CID 72868306

IUPACN-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCN(CCn1ccc2ccccc21)C(=O)C1CC12CCNCC2
InChIInChI=1S/C19H25N3O/c1-21(18(23)16-14-19(16)7-9-20-10-8-19)12-13-22-11-6-15-4-2-3-5-17(15)22/h2-6,11,16,20H,7-10,12-14H2,1H3
InChIKeyMYELRRNNDOAMKA-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.49
Rot. Bonds4

About N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide

N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 72868306) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID72868306
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCN(CCn1ccc2ccccc21)C(=O)C1CC12CCNCC2
InChIInChI=1S/C19H25N3O/c1-21(18(23)16-14-19(16)7-9-20-10-8-19)12-13-22-11-6-15-4-2-3-5-17(15)22/h2-6,11,16,20H,7-10,12-14H2,1H3
InChIKeyMYELRRNNDOAMKA-UHFFFAOYSA-N
XLogP2.49
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide (CID 72868306) is N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide is CN(CCn1ccc2ccccc21)C(=O)C1CC12CCNCC2.
What is the InChIKey of N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is MYELRRNNDOAMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-21(18(23)16-14-19(16)7-9-20-10-8-19)12-13-22-11-6-15-4-2-3-5-17(15)22/h2-6,11,16,20H,7-10,12-14H2,1H3.
What are the key properties of N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 72868306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).