1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione

C14H21N3O2 — CID 54607276

IUPAC1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione
SMILESC=CC1CCN(CCn2cc(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H21N3O2/c1-3-12-4-6-16(7-5-12)8-9-17-10-11(2)13(18)15-14(17)19/h3,10,12H,1,4-9H2,2H3,(H,15,18,19)
InChIKeyMQPQAEHPHTWJCQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.74
Rot. Bonds4

About 1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione

1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 54607276) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione
PubChem CID54607276
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione
SMILESC=CC1CCN(CCn2cc(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H21N3O2/c1-3-12-4-6-16(7-5-12)8-9-17-10-11(2)13(18)15-14(17)19/h3,10,12H,1,4-9H2,2H3,(H,15,18,19)
InChIKeyMQPQAEHPHTWJCQ-UHFFFAOYSA-N
XLogP0.74
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-Methylpiperidin-1-YL)-2-oxoethyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 26643718
5-[(3-ethylhex-5-enylamino)methyl]-1H-pyrimidine-2,4-dione
CID 134232586
5-Methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione
CID 142344921
5-Methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione
CID 60734697
1,3-Dimethyl-5-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 61240853
1-Methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
CID 63800855
1-Ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
CID 63800860
3-(Piperidin-4-ylmethyl)-1-propylpyrimidine-2,4-dione
CID 63800865
5-Methyl-1-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
CID 65563742
5-Methyl-1-(2-piperidin-3-ylethyl)pyrimidine-2,4-dione
CID 65563936
5-Methyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
CID 65574663
5-Ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
CID 66323210

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione (CID 54607276) is 1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione is C=CC1CCN(CCn2cc(C)c(=O)[nH]c2=O)CC1.
What is the InChIKey of 1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is MQPQAEHPHTWJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-12-4-6-16(7-5-12)8-9-17-10-11(2)13(18)15-14(17)19/h3,10,12H,1,4-9H2,2H3,(H,15,18,19).
What are the key properties of 1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione?
1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 263.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 54607276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).