6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C22H31N5O3 — CID 136735137

IUPAC6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)no1
InChIInChI=1S/C22H31N5O3/c1-4-7-15-12-18(25-30-15)22(29)27-10-6-5-8-19(27)20-23-17-9-11-26(14(2)3)13-16(17)21(28)24-20/h12,14,19H,4-11,13H2,1-3H3,(H,23,24,28)/t19-/m1/s1
InChIKeyAEKPLOYCTUMCRT-LJQANCHMSA-N
MW413.52 g/mol
LogP2.84
Rot. Bonds5

About 6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136735137) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136735137
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)no1
InChIInChI=1S/C22H31N5O3/c1-4-7-15-12-18(25-30-15)22(29)27-10-6-5-8-19(27)20-23-17-9-11-26(14(2)3)13-16(17)21(28)24-20/h12,14,19H,4-11,13H2,1-3H3,(H,23,24,28)/t19-/m1/s1
InChIKeyAEKPLOYCTUMCRT-LJQANCHMSA-N
XLogP2.84
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-propan-2-yl-2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796249
2-[(2R)-1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891180
6-propan-2-yl-2-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891216
2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796458
2-[(2R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891198
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 127247312
1-[2-[6-(5-propyl-1,2-oxazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110240681
2-[(2R)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136861029
[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92719861
6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796276
2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-propan-2-ylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796409
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46266463

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136735137) is 6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)no1.
What is the InChIKey of 6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AEKPLOYCTUMCRT-LJQANCHMSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-4-7-15-12-18(25-30-15)22(29)27-10-6-5-8-19(27)20-23-17-9-11-26(14(2)3)13-16(17)21(28)24-20/h12,14,19H,4-11,13H2,1-3H3,(H,23,24,28)/t19-/m1/s1.
What are the key properties of 6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 413.52 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136735137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).