5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione

C14H23N3O2 — CID 3154244

IUPAC5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCCCC1CC(C)(C)CCN1c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-4-5-10-8-14(2,3)6-7-17(10)11-9-15-13(19)16-12(11)18/h9-10H,4-8H2,1-3H3,(H2,15,16,18,19)
InChIKeyXVEWYGVNVUXLFZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds3

About 5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione

5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 3154244) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID3154244
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCCCC1CC(C)(C)CCN1c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-4-5-10-8-14(2,3)6-7-17(10)11-9-15-13(19)16-12(11)18/h9-10H,4-8H2,1-3H3,(H2,15,16,18,19)
InChIKeyXVEWYGVNVUXLFZ-UHFFFAOYSA-N
XLogP1.86
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione (CID 3154244) is 5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione is CCCC1CC(C)(C)CCN1c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is XVEWYGVNVUXLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-5-10-8-14(2,3)6-7-17(10)11-9-15-13(19)16-12(11)18/h9-10H,4-8H2,1-3H3,(H2,15,16,18,19).
What are the key properties of 5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3154244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).