1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

C16H22N4O2 — CID 126468407

IUPAC1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C
InChIInChI=1S/C16H22N4O2/c1-11(2)15(22)20-9-6-16(7-10-20)18-14(21)12-5-4-8-17-13(12)19(16)3/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,21)
InChIKeyWUHJALGBGBGUIS-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.24
Rot. Bonds1

About 1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one

1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (PubChem CID 126468407) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
PubChem CID126468407
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C
InChIInChI=1S/C16H22N4O2/c1-11(2)15(22)20-9-6-16(7-10-20)18-14(21)12-5-4-8-17-13(12)19(16)3/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,21)
InChIKeyWUHJALGBGBGUIS-UHFFFAOYSA-N
XLogP1.24
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 95807541
1-methyl-1'-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16669052
1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 46950560
1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 126468141
1-methyl-1'-(4-oxo-3H-phthalazine-1-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16675928
(1S,5S,6R,7R)-3-methyl-6-(1-methyl-4-oxospiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-1'-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-4-one
CID 95807567
1-ethyl-1'-(thiophene-2-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16675374
1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 53016592
1'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16675929
1-ethyl-1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16675382
1'-[(2,6-difluorophenyl)methyl]-1-ethylspiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 16672548
2-methyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 2781743

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The IUPAC name of 1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one (CID 126468407) is 1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The canonical SMILES for 1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is CC(C)C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C.
What is the InChIKey of 1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
The InChIKey is WUHJALGBGBGUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)15(22)20-9-6-16(7-10-20)18-14(21)12-5-4-8-17-13(12)19(16)3/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,21).
What are the key properties of 1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one?
1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one has a molecular weight of 302.38 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-(2-methylpropanoyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one is sourced from PubChem (CID 126468407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).