6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C21H28N4O2 — CID 136707140

IUPAC6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccccc1CN1CCc2nc(N3CCC(C)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C21H28N4O2/c1-15-7-11-25(12-8-15)21-22-18-9-10-24(14-17(18)20(26)23-21)13-16-5-3-4-6-19(16)27-2/h3-6,15H,7-14H2,1-2H3,(H,22,23,26)
InChIKeyXKVBQBOTRKRLCQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.57
Rot. Bonds4

About 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136707140) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136707140
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccccc1CN1CCc2nc(N3CCC(C)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C21H28N4O2/c1-15-7-11-25(12-8-15)21-22-18-9-10-24(14-17(18)20(26)23-21)13-16-5-3-4-6-19(16)27-2/h3-6,15H,7-14H2,1-2H3,(H,22,23,26)
InChIKeyXKVBQBOTRKRLCQ-UHFFFAOYSA-N
XLogP2.57
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2,5-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135674509
methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate
CID 135674544
2-(4-aminophenyl)-6-[(2-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918140
2-cyclopropyl-6-[(2,3-dimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916700
6-[(2-hydroxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135674454
6-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135880386
6-[(2-methoxyphenyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918144
7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707114
6-[(2-methoxyphenyl)methyl]-2-[(3R)-1-[(2R)-2-methylbutanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136892042
2-tert-butyl-6-[(2,3-dimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916689
1-(6-benzyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 136925266
N-(2-methoxyphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 135631238

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136707140) is 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccccc1CN1CCc2nc(N3CCC(C)CC3)[nH]c(=O)c2C1.
What is the InChIKey of 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XKVBQBOTRKRLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-7-11-25(12-8-15)21-22-18-9-10-24(14-17(18)20(26)23-21)13-16-5-3-4-6-19(16)27-2/h3-6,15H,7-14H2,1-2H3,(H,22,23,26).
What are the key properties of 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 368.48 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136707140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).