1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one

C13H22N4O — CID 2997888

IUPAC1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)NC(=O)C1=C(CN(C)CC1)N2
InChIInChI=1S/C13H22N4O/c1-16-7-4-13(5-8-16)14-11-9-17(2)6-3-10(11)12(18)15-13/h14H,3-9H2,1-2H3,(H,15,18)
InChIKeyORSVCYWWCJMIQX-UHFFFAOYSA-N
MW250.35 g/mol
LogP-0.28
Rot. Bonds

About 1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one

1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one (PubChem CID 2997888) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one
PubChem CID2997888
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)NC(=O)C1=C(CN(C)CC1)N2
InChIInChI=1S/C13H22N4O/c1-16-7-4-13(5-8-16)14-11-9-17(2)6-3-10(11)12(18)15-13/h14H,3-9H2,1-2H3,(H,15,18)
InChIKeyORSVCYWWCJMIQX-UHFFFAOYSA-N
XLogP-0.28
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one?
The IUPAC name of 1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one (CID 2997888) is 1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one?
The canonical SMILES for 1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one is CN1CCC2(CC1)NC(=O)C1=C(CN(C)CC1)N2.
What is the InChIKey of 1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one?
The InChIKey is ORSVCYWWCJMIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-7-4-13(5-8-16)14-11-9-17(2)6-3-10(11)12(18)15-13/h14H,3-9H2,1-2H3,(H,15,18).
What are the key properties of 1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one?
1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one has a molecular weight of 250.35 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',7-dimethylspiro[3,5,6,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4'-piperidine]-4-one is sourced from PubChem (CID 2997888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).