4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one

C19H29N3O2 — CID 136803152

IUPAC4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCC(C)=CCC[C@]1(C)CCC(=O)N(CCc2nc(C)cc(=O)[nH]2)C1
InChIInChI=1S/C19H29N3O2/c1-14(2)6-5-9-19(4)10-7-18(24)22(13-19)11-8-16-20-15(3)12-17(23)21-16/h6,12H,5,7-11,13H2,1-4H3,(H,20,21,23)/t19-/m1/s1
InChIKeyHGZDJLZZMGLUQL-LJQANCHMSA-N
MW331.46 g/mol
LogP3.00
Rot. Bonds6

About 4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one

4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 136803152) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID136803152
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCC(C)=CCC[C@]1(C)CCC(=O)N(CCc2nc(C)cc(=O)[nH]2)C1
InChIInChI=1S/C19H29N3O2/c1-14(2)6-5-9-19(4)10-7-18(24)22(13-19)11-8-16-20-15(3)12-17(23)21-16/h6,12H,5,7-11,13H2,1-4H3,(H,20,21,23)/t19-/m1/s1
InChIKeyHGZDJLZZMGLUQL-LJQANCHMSA-N
XLogP3.00
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one (CID 136803152) is 4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one is CC(C)=CCC[C@]1(C)CCC(=O)N(CCc2nc(C)cc(=O)[nH]2)C1.
What is the InChIKey of 4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is HGZDJLZZMGLUQL-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)6-5-9-19(4)10-7-18(24)22(13-19)11-8-16-20-15(3)12-17(23)21-16/h6,12H,5,7-11,13H2,1-4H3,(H,20,21,23)/t19-/m1/s1.
What are the key properties of 4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 331.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[(5R)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136803152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).