1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one

C17H22N2O — CID 134790599

IUPAC1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2CC12CCN(CC1CC1)CC2
InChIInChI=1S/C17H22N2O/c20-16-17(11-14-3-1-2-4-15(14)18-16)7-9-19(10-8-17)12-13-5-6-13/h1-4,13H,5-12H2,(H,18,20)
InChIKeyMSBQCRGGCICFIC-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.67
Rot. Bonds2

About 1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one

1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one (PubChem CID 134790599) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
PubChem CID134790599
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2CC12CCN(CC1CC1)CC2
InChIInChI=1S/C17H22N2O/c20-16-17(11-14-3-1-2-4-15(14)18-16)7-9-19(10-8-17)12-13-5-6-13/h1-4,13H,5-12H2,(H,18,20)
InChIKeyMSBQCRGGCICFIC-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
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'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one (CID 134790599) is 1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one is O=C1Nc2ccccc2CC12CCN(CC1CC1)CC2.
What is the InChIKey of 1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The InChIKey is MSBQCRGGCICFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-16-17(11-14-3-1-2-4-15(14)18-16)7-9-19(10-8-17)12-13-5-6-13/h1-4,13H,5-12H2,(H,18,20).
What are the key properties of 1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one has a molecular weight of 270.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one is sourced from PubChem (CID 134790599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).