2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C23H28N4O4 — CID 136892005

IUPAC2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccc(OC)c3)[nH]c2=O)C1
InChIInChI=1S/C23H28N4O4/c1-3-20(28)26-12-10-17-18(14-26)24-21(25-22(17)29)19-9-4-5-11-27(19)23(30)15-7-6-8-16(13-15)31-2/h6-8,13,19H,3-5,9-12,14H2,1-2H3,(H,24,25,29)/t19-/m1/s1
InChIKeyHHNBCWOCRIBHMR-LJQANCHMSA-N
MW424.50 g/mol
LogP2.44
Rot. Bonds4

About 2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136892005) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136892005
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccc(OC)c3)[nH]c2=O)C1
InChIInChI=1S/C23H28N4O4/c1-3-20(28)26-12-10-17-18(14-26)24-21(25-22(17)29)19-9-4-5-11-27(19)23(30)15-7-6-8-16(13-15)31-2/h6-8,13,19H,3-5,9-12,14H2,1-2H3,(H,24,25,29)/t19-/m1/s1
InChIKeyHHNBCWOCRIBHMR-LJQANCHMSA-N
XLogP2.44
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136735150
2-[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796636
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891985
7-acetyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774910
2-[(2S)-1-benzoylpiperidin-2-yl]-6-(2-methoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136869518
7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136861055
7-acetyl-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774903
7-butanoyl-2-[(2R)-1-(2-phenylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892307
7-cyclohexyl-2-[1-(3-fluorobenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796512
2-[(2R)-1-(cyclohexanecarbonyl)piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681511
2-[(2S)-1-butanoylpyrrolidin-2-yl]-7-(pyridine-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892221
2-[(2R)-1-(cyclopentanecarbonyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774689

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136892005) is 2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccc(OC)c3)[nH]c2=O)C1.
What is the InChIKey of 2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HHNBCWOCRIBHMR-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-3-20(28)26-12-10-17-18(14-26)24-21(25-22(17)29)19-9-4-5-11-27(19)23(30)15-7-6-8-16(13-15)31-2/h6-8,13,19H,3-5,9-12,14H2,1-2H3,(H,24,25,29)/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 424.50 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136892005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).