3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C16H24N4O2 — CID 128999817

IUPAC3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCN(CC(=O)N2CCc3c(ncn(C)c3=O)C2)CC1
InChIInChI=1S/C16H24N4O2/c1-12-3-6-19(7-4-12)10-15(21)20-8-5-13-14(9-20)17-11-18(2)16(13)22/h11-12H,3-10H2,1-2H3
InChIKeyOFIBWJWZXDUTSP-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.40
Rot. Bonds2

About 3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 128999817) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID128999817
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCN(CC(=O)N2CCc3c(ncn(C)c3=O)C2)CC1
InChIInChI=1S/C16H24N4O2/c1-12-3-6-19(7-4-12)10-15(21)20-8-5-13-14(9-20)17-11-18(2)16(13)22/h11-12H,3-10H2,1-2H3
InChIKeyOFIBWJWZXDUTSP-UHFFFAOYSA-N
XLogP0.40
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-ethyl-7-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 126804739
3-ethyl-7-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 129344976
3-ethyl-7-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 129344977
7-[2-[4-(Trifluoromethyl)piperidin-1-yl]acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 167917439
5-Fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 167977761
6-isopropyl-3-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)pyrimidin-4(3H)-one
CID 45535225
2-(4-Methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136711445
1-(2-(6-oxo-4-propylpyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 45535176
1-(2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 45535336
7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 100664186
7-(cyclohexylmethyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 100765292
3-(2-Oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483484

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 128999817) is 3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CC1CCN(CC(=O)N2CCc3c(ncn(C)c3=O)C2)CC1.
What is the InChIKey of 3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is OFIBWJWZXDUTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-3-6-19(7-4-12)10-15(21)20-8-5-13-14(9-20)17-11-18(2)16(13)22/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 304.39 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[2-(4-methylpiperidin-1-yl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 128999817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).