4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one

C15H16ClF3N2O2 — CID 138595084

IUPAC4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCOc1ccc(Cl)c2c1N(CC(F)(F)F)C(=O)C21CCNCC1
InChIInChI=1S/C15H16ClF3N2O2/c1-23-10-3-2-9(16)11-12(10)21(8-15(17,18)19)13(22)14(11)4-6-20-7-5-14/h2-3,20H,4-8H2,1H3
InChIKeyVPJLIAKDEIOOGV-UHFFFAOYSA-N
MW348.75 g/mol
LogP2.88
Rot. Bonds2

About 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one

4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 138595084) has the molecular formula C15H16ClF3N2O2 and a molecular weight of 348.75 g/mol. Its IUPAC name is 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID138595084
Molecular FormulaC15H16ClF3N2O2
Molecular Weight348.75 g/mol
Exact Mass348.09
IUPAC Name4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCOc1ccc(Cl)c2c1N(CC(F)(F)F)C(=O)C21CCNCC1
InChIInChI=1S/C15H16ClF3N2O2/c1-23-10-3-2-9(16)11-12(10)21(8-15(17,18)19)13(22)14(11)4-6-20-7-5-14/h2-3,20H,4-8H2,1H3
InChIKeyVPJLIAKDEIOOGV-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one (CID 138595084) is 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one is COc1ccc(Cl)c2c1N(CC(F)(F)F)C(=O)C21CCNCC1.
What is the InChIKey of 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is VPJLIAKDEIOOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2/c1-23-10-3-2-9(16)11-12(10)21(8-15(17,18)19)13(22)14(11)4-6-20-7-5-14/h2-3,20H,4-8H2,1H3.
What are the key properties of 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one?
4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 348.75 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 138595084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).