1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one

C16H22N2O — CID 176678107

IUPAC1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
SMILESCC(C)N1CCC2(CC1)Cc1ccccc1NC2=O
InChIInChI=1S/C16H22N2O/c1-12(2)18-9-7-16(8-10-18)11-13-5-3-4-6-14(13)17-15(16)19/h3-6,12H,7-11H2,1-2H3,(H,17,19)
InChIKeyBAEULQSXFOOXFU-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.67
Rot. Bonds1

About 1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one

1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one (PubChem CID 176678107) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
PubChem CID176678107
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
SMILESCC(C)N1CCC2(CC1)Cc1ccccc1NC2=O
InChIInChI=1S/C16H22N2O/c1-12(2)18-9-7-16(8-10-18)11-13-5-3-4-6-14(13)17-15(16)19/h3-6,12H,7-11H2,1-2H3,(H,17,19)
InChIKeyBAEULQSXFOOXFU-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one (CID 176678107) is 1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one is CC(C)N1CCC2(CC1)Cc1ccccc1NC2=O.
What is the InChIKey of 1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The InChIKey is BAEULQSXFOOXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)18-9-7-16(8-10-18)11-13-5-3-4-6-14(13)17-15(16)19/h3-6,12H,7-11H2,1-2H3,(H,17,19).
What are the key properties of 1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one has a molecular weight of 258.37 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one is sourced from PubChem (CID 176678107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).