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

C17H22N2O — CID 22380612

IUPAC2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one
SMILESO=C1c2ccccc2C2(CCNCC2)CN1CC1CC1
InChIInChI=1S/C17H22N2O/c20-16-14-3-1-2-4-15(14)17(7-9-18-10-8-17)12-19(16)11-13-5-6-13/h1-4,13,18H,5-12H2
InChIKeyOYWUKIIKFSJJOC-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.17
Rot. Bonds2

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

2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one (PubChem CID 22380612) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one
PubChem CID22380612
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one
SMILESO=C1c2ccccc2C2(CCNCC2)CN1CC1CC1
InChIInChI=1S/C17H22N2O/c20-16-14-3-1-2-4-15(14)17(7-9-18-10-8-17)12-19(16)11-13-5-6-13/h1-4,13,18H,5-12H2
InChIKeyOYWUKIIKFSJJOC-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one?
The IUPAC name of 2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one (CID 22380612) is 2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one is O=C1c2ccccc2C2(CCNCC2)CN1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one?
The InChIKey is OYWUKIIKFSJJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-16-14-3-1-2-4-15(14)17(7-9-18-10-8-17)12-19(16)11-13-5-6-13/h1-4,13,18H,5-12H2.
What are the key properties of 2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one?
2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one has a molecular weight of 270.38 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1-one is sourced from PubChem (CID 22380612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).