1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one

C18H26N2O2 — CID 121359665

IUPAC1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one
SMILESCC(C)OCCN1CCC2(CC1)NC(=O)Cc1ccccc12
InChIInChI=1S/C18H26N2O2/c1-14(2)22-12-11-20-9-7-18(8-10-20)16-6-4-3-5-15(16)13-17(21)19-18/h3-6,14H,7-13H2,1-2H3,(H,19,21)
InChIKeyKZUZRFAHKOREDX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.08
Rot. Bonds4

About 1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one

1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one (PubChem CID 121359665) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one.

Molecular Properties

Compound Name1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one
PubChem CID121359665
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one
SMILESCC(C)OCCN1CCC2(CC1)NC(=O)Cc1ccccc12
InChIInChI=1S/C18H26N2O2/c1-14(2)22-12-11-20-9-7-18(8-10-20)16-6-4-3-5-15(16)13-17(21)19-18/h3-6,14H,7-13H2,1-2H3,(H,19,21)
InChIKeyKZUZRFAHKOREDX-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one?
The IUPAC name of 1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one (CID 121359665) is 1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one.
What is the SMILES notation for 1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one?
The canonical SMILES for 1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one is CC(C)OCCN1CCC2(CC1)NC(=O)Cc1ccccc12.
What is the InChIKey of 1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one?
The InChIKey is KZUZRFAHKOREDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(2)22-12-11-20-9-7-18(8-10-20)16-6-4-3-5-15(16)13-17(21)19-18/h3-6,14H,7-13H2,1-2H3,(H,19,21).
What are the key properties of 1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one?
1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one has a molecular weight of 302.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-propan-2-yloxyethyl)spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one is sourced from PubChem (CID 121359665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).