6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one

C17H21N3O2 — CID 121187130

IUPAC6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCC(=C2CC2)CC1
InChIInChI=1S/C17H21N3O2/c21-16-9-15(14-3-4-14)18-11-20(16)10-17(22)19-7-5-13(6-8-19)12-1-2-12/h9,11,14H,1-8,10H2
InChIKeyWFTWHWDINASJFI-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.83
Rot. Bonds3

About 6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one

6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one (PubChem CID 121187130) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
PubChem CID121187130
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCC(=C2CC2)CC1
InChIInChI=1S/C17H21N3O2/c21-16-9-15(14-3-4-14)18-11-20(16)10-17(22)19-7-5-13(6-8-19)12-1-2-12/h9,11,14H,1-8,10H2
InChIKeyWFTWHWDINASJFI-UHFFFAOYSA-N
XLogP1.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one 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 6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one (CID 121187130) is 6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one is O=C(Cn1cnc(C2CC2)cc1=O)N1CCC(=C2CC2)CC1.
What is the InChIKey of 6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The InChIKey is WFTWHWDINASJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16-9-15(14-3-4-14)18-11-20(16)10-17(22)19-7-5-13(6-8-19)12-1-2-12/h9,11,14H,1-8,10H2.
What are the key properties of 6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one?
6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one has a molecular weight of 299.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 121187130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).