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

C16H24ClN3O2 — CID 118741691

IUPAC2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one;hydrochloride
SMILESCc1ncc2c(n1)C1(CCN(C(=O)C(C)C)CC1)OCC2.Cl
InChIInChI=1S/C16H23N3O2.ClH/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;1H
InChIKeyXSSKTYVINZJREV-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.25
Rot. Bonds1

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

2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one;hydrochloride (PubChem CID 118741691) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 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;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one;hydrochloride
PubChem CID118741691
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one;hydrochloride
SMILESCc1ncc2c(n1)C1(CCN(C(=O)C(C)C)CC1)OCC2.Cl
InChIInChI=1S/C16H23N3O2.ClH/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;1H
InChIKeyXSSKTYVINZJREV-UHFFFAOYSA-N
XLogP2.25
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.25
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;hydrochloride?
The IUPAC name of 2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one;hydrochloride (CID 118741691) is 2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one;hydrochloride.
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;hydrochloride?
The canonical SMILES for 2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one;hydrochloride is Cc1ncc2c(n1)C1(CCN(C(=O)C(C)C)CC1)OCC2.Cl.
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;hydrochloride?
The InChIKey is XSSKTYVINZJREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/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;1H.
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;hydrochloride?
2-methyl-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.25, 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;hydrochloride is sourced from PubChem (CID 118741691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).