3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one

C15H23N3O2 — CID 93477847

IUPAC3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one
SMILESCCCc1cc(=O)n(CC(=O)N2CCC[C@@H](C)C2)cn1
InChIInChI=1S/C15H23N3O2/c1-3-5-13-8-14(19)18(11-16-13)10-15(20)17-7-4-6-12(2)9-17/h8,11-12H,3-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyFZAVYVFMXSNERY-GFCCVEGCSA-N
MW277.37 g/mol
LogP1.45
Rot. Bonds4

About 3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one

3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one (PubChem CID 93477847) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one
PubChem CID93477847
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one
SMILESCCCc1cc(=O)n(CC(=O)N2CCC[C@@H](C)C2)cn1
InChIInChI=1S/C15H23N3O2/c1-3-5-13-8-14(19)18(11-16-13)10-15(20)17-7-4-6-12(2)9-17/h8,11-12H,3-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyFZAVYVFMXSNERY-GFCCVEGCSA-N
XLogP1.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one?
The IUPAC name of 3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one (CID 93477847) is 3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one?
The canonical SMILES for 3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one is CCCc1cc(=O)n(CC(=O)N2CCC[C@@H](C)C2)cn1.
What is the InChIKey of 3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one?
The InChIKey is FZAVYVFMXSNERY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-5-13-8-14(19)18(11-16-13)10-15(20)17-7-4-6-12(2)9-17/h8,11-12H,3-7,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one?
3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one has a molecular weight of 277.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one is sourced from PubChem (CID 93477847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).