1-piperidin-3-ylpyrimidine-2,4-dione

C9H13N3O2 — CID 51050696

IUPAC1-piperidin-3-ylpyrimidine-2,4-dione
SMILESO=c1ccn(C2CCCNC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-3-5-12(9(14)11-8)7-2-1-4-10-6-7/h3,5,7,10H,1-2,4,6H2,(H,11,13,14)
InChIKeyDWCCSGICCPDFDZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.54
Rot. Bonds1

About 1-piperidin-3-ylpyrimidine-2,4-dione

1-piperidin-3-ylpyrimidine-2,4-dione (PubChem CID 51050696) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-piperidin-3-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-piperidin-3-ylpyrimidine-2,4-dione
PubChem CID51050696
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-piperidin-3-ylpyrimidine-2,4-dione
SMILESO=c1ccn(C2CCCNC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-3-5-12(9(14)11-8)7-2-1-4-10-6-7/h3,5,7,10H,1-2,4,6H2,(H,11,13,14)
InChIKeyDWCCSGICCPDFDZ-UHFFFAOYSA-N
XLogP-0.54
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-piperidin-3-ylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-ylpyrimidine-2,4-dione?
The IUPAC name of 1-piperidin-3-ylpyrimidine-2,4-dione (CID 51050696) is 1-piperidin-3-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-piperidin-3-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-piperidin-3-ylpyrimidine-2,4-dione is O=c1ccn(C2CCCNC2)c(=O)[nH]1.
What is the InChIKey of 1-piperidin-3-ylpyrimidine-2,4-dione?
The InChIKey is DWCCSGICCPDFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-3-5-12(9(14)11-8)7-2-1-4-10-6-7/h3,5,7,10H,1-2,4,6H2,(H,11,13,14).
What are the key properties of 1-piperidin-3-ylpyrimidine-2,4-dione?
1-piperidin-3-ylpyrimidine-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-ylpyrimidine-2,4-dione is sourced from PubChem (CID 51050696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).