[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone

C15H23N3O2 — CID 70739349

IUPAC[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2CC[C@@](O)(C3CCC3)[C@H](C)C2)[nH]1
InChIInChI=1S/C15H23N3O2/c1-10-9-18(14(19)13-16-8-11(2)17-13)7-6-15(10,20)12-4-3-5-12/h8,10,12,20H,3-7,9H2,1-2H3,(H,16,17)/t10-,15+/m1/s1
InChIKeyNCJQZKSHVUFLAO-BMIGLBTASA-N
MW277.37 g/mol
LogP1.73
Rot. Bonds2

About [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone

[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone (PubChem CID 70739349) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
PubChem CID70739349
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2CC[C@@](O)(C3CCC3)[C@H](C)C2)[nH]1
InChIInChI=1S/C15H23N3O2/c1-10-9-18(14(19)13-16-8-11(2)17-13)7-6-15(10,20)12-4-3-5-12/h8,10,12,20H,3-7,9H2,1-2H3,(H,16,17)/t10-,15+/m1/s1
InChIKeyNCJQZKSHVUFLAO-BMIGLBTASA-N
XLogP1.73
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The IUPAC name of [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone (CID 70739349) is [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone.
What is the SMILES notation for [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The canonical SMILES for [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone is Cc1cnc(C(=O)N2CC[C@@](O)(C3CCC3)[C@H](C)C2)[nH]1.
What is the InChIKey of [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The InChIKey is NCJQZKSHVUFLAO-BMIGLBTASA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-9-18(14(19)13-16-8-11(2)17-13)7-6-15(10,20)12-4-3-5-12/h8,10,12,20H,3-7,9H2,1-2H3,(H,16,17)/t10-,15+/m1/s1.
What are the key properties of [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone is sourced from PubChem (CID 70739349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).