2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one

C16H23N3O2 — CID 92565549

IUPAC2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one
SMILESCc1ncc2c(n1)C1(CCN(C(=O)C(C)C)CC1)OCC2
InChIInChI=1S/C16H23N3O2/c1-11(2)15(20)19-7-5-16(6-8-19)14-13(4-9-21-16)10-17-12(3)18-14/h10-11H,4-9H2,1-3H3
InChIKeyNISRISJSNCUHFE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.83
Rot. Bonds1

About 2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one

2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one (PubChem CID 92565549) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one
PubChem CID92565549
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one
SMILESCc1ncc2c(n1)C1(CCN(C(=O)C(C)C)CC1)OCC2
InChIInChI=1S/C16H23N3O2/c1-11(2)15(20)19-7-5-16(6-8-19)14-13(4-9-21-16)10-17-12(3)18-14/h10-11H,4-9H2,1-3H3
InChIKeyNISRISJSNCUHFE-UHFFFAOYSA-N
XLogP1.83
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one (CID 92565549) is 2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one is Cc1ncc2c(n1)C1(CCN(C(=O)C(C)C)CC1)OCC2.
What is the InChIKey of 2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one?
The InChIKey is NISRISJSNCUHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)15(20)19-7-5-16(6-8-19)14-13(4-9-21-16)10-17-12(3)18-14/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one?
2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one has a molecular weight of 289.38 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one is sourced from PubChem (CID 92565549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).