1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

C12H16N4O — CID 46950560

IUPAC1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCN1c2ncccc2C(=O)NC12CCNCC2
InChIInChI=1S/C12H16N4O/c1-16-10-9(3-2-6-14-10)11(17)15-12(16)4-7-13-8-5-12/h2-3,6,13H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyHMPZSUGJZJNRSG-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.34
Rot. Bonds

About 1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (PubChem CID 46950560) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
PubChem CID46950560
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCN1c2ncccc2C(=O)NC12CCNCC2
InChIInChI=1S/C12H16N4O/c1-16-10-9(3-2-6-14-10)11(17)15-12(16)4-7-13-8-5-12/h2-3,6,13H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyHMPZSUGJZJNRSG-UHFFFAOYSA-N
XLogP0.34
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The IUPAC name of 1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (CID 46950560) is 1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The canonical SMILES for 1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is CN1c2ncccc2C(=O)NC12CCNCC2.
What is the InChIKey of 1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The InChIKey is HMPZSUGJZJNRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-10-9(3-2-6-14-10)11(17)15-12(16)4-7-13-8-5-12/h2-3,6,13H,4-5,7-8H2,1H3,(H,15,17).
What are the key properties of 1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one has a molecular weight of 232.29 g/mol, XLogP of 0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is sourced from PubChem (CID 46950560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).