1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one

C14H18N2O — CID 3042076

IUPAC1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCCN1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C14H18N2O/c1-2-16-9-7-14(8-10-16)11-5-3-4-6-12(11)15-13(14)17/h3-6H,2,7-10H2,1H3,(H,15,17)
InChIKeyNMQXSMRPHNDIOB-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.99
Rot. Bonds1

About 1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one

1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 3042076) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID3042076
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCCN1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C14H18N2O/c1-2-16-9-7-14(8-10-16)11-5-3-4-6-12(11)15-13(14)17/h3-6H,2,7-10H2,1H3,(H,15,17)
InChIKeyNMQXSMRPHNDIOB-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one (CID 3042076) is 1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one is CCN1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is NMQXSMRPHNDIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-16-9-7-14(8-10-16)11-5-3-4-6-12(11)15-13(14)17/h3-6H,2,7-10H2,1H3,(H,15,17).
What are the key properties of 1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one?
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 3042076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).