(2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone

C19H21N3O3 — CID 154779693

IUPAC(2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone
SMILESCOc1nccc(C(=O)N2CCC3(CC2)OCCc2ccccc23)n1
InChIInChI=1S/C19H21N3O3/c1-24-18-20-10-6-16(21-18)17(23)22-11-8-19(9-12-22)15-5-3-2-4-14(15)7-13-25-19/h2-6,10H,7-9,11-13H2,1H3
InChIKeyOKULAGNGFRFHPM-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.19
Rot. Bonds2

About (2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone

(2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone (PubChem CID 154779693) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone
PubChem CID154779693
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone
SMILESCOc1nccc(C(=O)N2CCC3(CC2)OCCc2ccccc23)n1
InChIInChI=1S/C19H21N3O3/c1-24-18-20-10-6-16(21-18)17(23)22-11-8-19(9-12-22)15-5-3-2-4-14(15)7-13-25-19/h2-6,10H,7-9,11-13H2,1H3
InChIKeyOKULAGNGFRFHPM-UHFFFAOYSA-N
XLogP2.19
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone (CID 154779693) is (2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone is COc1nccc(C(=O)N2CCC3(CC2)OCCc2ccccc23)n1.
What is the InChIKey of (2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone?
The InChIKey is OKULAGNGFRFHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-18-20-10-6-16(21-18)17(23)22-11-8-19(9-12-22)15-5-3-2-4-14(15)7-13-25-19/h2-6,10H,7-9,11-13H2,1H3.
What are the key properties of (2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone?
(2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone has a molecular weight of 339.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxypyrimidin-4-yl)-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 154779693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).