5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one

C15H21N3O3 — CID 72867263

IUPAC5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(C(=O)c2cnc[nH]c2=O)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C15H21N3O3/c1-10-8-18(6-5-15(10,21)11-3-2-4-11)14(20)12-7-16-9-17-13(12)19/h7,9-11,21H,2-6,8H2,1H3,(H,16,17,19)/t10-,15+/m1/s1
InChIKeyBAJBRNAGUQNGNW-BMIGLBTASA-N
MW291.35 g/mol
LogP0.78
Rot. Bonds2

About 5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one

5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 72867263) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID72867263
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESC[C@@H]1CN(C(=O)c2cnc[nH]c2=O)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C15H21N3O3/c1-10-8-18(6-5-15(10,21)11-3-2-4-11)14(20)12-7-16-9-17-13(12)19/h7,9-11,21H,2-6,8H2,1H3,(H,16,17,19)/t10-,15+/m1/s1
InChIKeyBAJBRNAGUQNGNW-BMIGLBTASA-N
XLogP0.78
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 72867263) is 5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one is C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)CC[C@@]1(O)C1CCC1.
What is the InChIKey of 5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is BAJBRNAGUQNGNW-BMIGLBTASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-8-18(6-5-15(10,21)11-3-2-4-11)14(20)12-7-16-9-17-13(12)19/h7,9-11,21H,2-6,8H2,1H3,(H,16,17,19)/t10-,15+/m1/s1.
What are the key properties of 5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one?
5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 291.35 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 72867263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).