[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone

C19H29N3O3 — CID 72913293

IUPAC[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1
InChIInChI=1S/C19H29N3O3/c1-3-4-17-16(11-20-13-21-17)18(23)22-8-7-19(24,14(2)12-22)15-5-9-25-10-6-15/h11,13-15,24H,3-10,12H2,1-2H3/t14-,19+/m1/s1
InChIKeyVJJGCOGCMKCFJI-KUHUBIRLSA-N
MW347.46 g/mol
LogP2.07
Rot. Bonds4

About [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone

[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (PubChem CID 72913293) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
PubChem CID72913293
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1
InChIInChI=1S/C19H29N3O3/c1-3-4-17-16(11-20-13-21-17)18(23)22-8-7-19(24,14(2)12-22)15-5-9-25-10-6-15/h11,13-15,24H,3-10,12H2,1-2H3/t14-,19+/m1/s1
InChIKeyVJJGCOGCMKCFJI-KUHUBIRLSA-N
XLogP2.07
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (CID 72913293) is [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is CCCc1ncncc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1.
What is the InChIKey of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The InChIKey is VJJGCOGCMKCFJI-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-4-17-16(11-20-13-21-17)18(23)22-8-7-19(24,14(2)12-22)15-5-9-25-10-6-15/h11,13-15,24H,3-10,12H2,1-2H3/t14-,19+/m1/s1.
What are the key properties of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone has a molecular weight of 347.46 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is sourced from PubChem (CID 72913293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).