1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide

C17H23N3O3 — CID 118743246

IUPAC1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)C1(CCN(CCOC)CC1)C(=O)N2
InChIInChI=1S/C17H23N3O3/c1-18-15(21)12-3-4-14-13(11-12)17(16(22)19-14)5-7-20(8-6-17)9-10-23-2/h3-4,11H,5-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyFLDDGSATGGIODY-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.98
Rot. Bonds4

About 1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide

1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide (PubChem CID 118743246) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide.

Molecular Properties

Compound Name1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide
PubChem CID118743246
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)C1(CCN(CCOC)CC1)C(=O)N2
InChIInChI=1S/C17H23N3O3/c1-18-15(21)12-3-4-14-13(11-12)17(16(22)19-14)5-7-20(8-6-17)9-10-23-2/h3-4,11H,5-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyFLDDGSATGGIODY-UHFFFAOYSA-N
XLogP0.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide?
The IUPAC name of 1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide (CID 118743246) is 1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide.
What is the SMILES notation for 1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide?
The canonical SMILES for 1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide is CNC(=O)c1ccc2c(c1)C1(CCN(CCOC)CC1)C(=O)N2.
What is the InChIKey of 1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide?
The InChIKey is FLDDGSATGGIODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-18-15(21)12-3-4-14-13(11-12)17(16(22)19-14)5-7-20(8-6-17)9-10-23-2/h3-4,11H,5-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide?
1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxyethyl)-N-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide is sourced from PubChem (CID 118743246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).