2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone

C16H22N2O2 — CID 97449335

IUPAC2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone
SMILESCOCC(=O)N1CCc2ccccc2C12CCNCC2
InChIInChI=1S/C16H22N2O2/c1-20-12-15(19)18-11-6-13-4-2-3-5-14(13)16(18)7-9-17-10-8-16/h2-5,17H,6-12H2,1H3
InChIKeySALKIPCHVKFEMM-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.30
Rot. Bonds2

About 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone

2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone (PubChem CID 97449335) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone.

Molecular Properties

Compound Name2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone
PubChem CID97449335
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone
SMILESCOCC(=O)N1CCc2ccccc2C12CCNCC2
InChIInChI=1S/C16H22N2O2/c1-20-12-15(19)18-11-6-13-4-2-3-5-14(13)16(18)7-9-17-10-8-16/h2-5,17H,6-12H2,1H3
InChIKeySALKIPCHVKFEMM-UHFFFAOYSA-N
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone?
The IUPAC name of 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone (CID 97449335) is 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone.
What is the SMILES notation for 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone?
The canonical SMILES for 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone is COCC(=O)N1CCc2ccccc2C12CCNCC2.
What is the InChIKey of 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone?
The InChIKey is SALKIPCHVKFEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-12-15(19)18-11-6-13-4-2-3-5-14(13)16(18)7-9-17-10-8-16/h2-5,17H,6-12H2,1H3.
What are the key properties of 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone?
2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone has a molecular weight of 274.36 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone is sourced from PubChem (CID 97449335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).