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

C19H25N5O3 — CID 136795579

IUPAC7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCN1CCc2c(nc(C3CCN(C(=O)CCc4ccno4)CC3)[nH]c2=O)C1
InChIInChI=1S/C19H25N5O3/c1-23-9-7-15-16(12-23)21-18(22-19(15)26)13-5-10-24(11-6-13)17(25)3-2-14-4-8-20-27-14/h4,8,13H,2-3,5-7,9-12H2,1H3,(H,21,22,26)
InChIKeyLTYUHCNZTYVPNS-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.08
Rot. Bonds4

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

7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136795579) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136795579
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCN1CCc2c(nc(C3CCN(C(=O)CCc4ccno4)CC3)[nH]c2=O)C1
InChIInChI=1S/C19H25N5O3/c1-23-9-7-15-16(12-23)21-18(22-19(15)26)13-5-10-24(11-6-13)17(25)3-2-14-4-8-20-27-14/h4,8,13H,2-3,5-7,9-12H2,1H3,(H,21,22,26)
InChIKeyLTYUHCNZTYVPNS-UHFFFAOYSA-N
XLogP1.08
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795909
7-benzyl-2-(1-butanoylpiperidin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136730806
7-acetyl-2-[(3R)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774936
6-methyl-2-[(3S)-1-(3-phenylpropanoyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136869411
7-acetyl-2-[(3S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774935
7-(cyclopropanecarbonyl)-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136682117
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136795624
6-butanoyl-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795974
7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136797060
2-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891278
2-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891277
6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795533

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136795579) is 7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CN1CCc2c(nc(C3CCN(C(=O)CCc4ccno4)CC3)[nH]c2=O)C1.
What is the InChIKey of 7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is LTYUHCNZTYVPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-23-9-7-15-16(12-23)21-18(22-19(15)26)13-5-10-24(11-6-13)17(25)3-2-14-4-8-20-27-14/h4,8,13H,2-3,5-7,9-12H2,1H3,(H,21,22,26).
What are the key properties of 7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 371.44 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[1-[3-(1,2-oxazol-5-yl)propanoyl]piperidin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136795579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).