1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione

C12H19N3O2 — CID 118713499

IUPAC1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCCN2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c16-11-5-10-15(12(17)13-11)9-4-8-14-6-2-1-3-7-14/h5,10H,1-4,6-9H2,(H,13,16,17)
InChIKeyJIICJSOOYKPAJD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.41
Rot. Bonds4

About 1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione

1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione (PubChem CID 118713499) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione
PubChem CID118713499
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCCN2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c16-11-5-10-15(12(17)13-11)9-4-8-14-6-2-1-3-7-14/h5,10H,1-4,6-9H2,(H,13,16,17)
InChIKeyJIICJSOOYKPAJD-UHFFFAOYSA-N
XLogP0.41
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione (CID 118713499) is 1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione is O=c1ccn(CCCN2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione?
The InChIKey is JIICJSOOYKPAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-11-5-10-15(12(17)13-11)9-4-8-14-6-2-1-3-7-14/h5,10H,1-4,6-9H2,(H,13,16,17).
What are the key properties of 1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione?
1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 118713499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).