1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione

C18H19N3O3 — CID 71977444

IUPAC1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C18H19N3O3/c22-16-8-11-21(18(24)19-16)13-17(23)20-9-6-15(7-10-20)12-14-4-2-1-3-5-14/h1-5,8,11-12H,6-7,9-10,13H2,(H,19,22,24)
InChIKeyVLQSJLPILVTHOO-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.24
Rot. Bonds3

About 1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione

1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 71977444) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID71977444
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C18H19N3O3/c22-16-8-11-21(18(24)19-16)13-17(23)20-9-6-15(7-10-20)12-14-4-2-1-3-5-14/h1-5,8,11-12H,6-7,9-10,13H2,(H,19,22,24)
InChIKeyVLQSJLPILVTHOO-UHFFFAOYSA-N
XLogP1.24
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-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

Related Compounds

2-[1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612721
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 25343856
1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 138385769
methyl 4-benzylidenepiperidine-1-carboxylate
CID 22893849
1-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489829
N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 71977451
1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119493465
(3S,4S)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951641
ethane;ethyl 2-(4-benzylidenepiperidin-1-yl)-2-oxoacetate
CID 91434018
(2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 79034879
1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 91774958
1-[2-[(3R,4R)-3-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 72919872

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione (CID 71977444) is 1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is VLQSJLPILVTHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-16-8-11-21(18(24)19-16)13-17(23)20-9-6-15(7-10-20)12-14-4-2-1-3-5-14/h1-5,8,11-12H,6-7,9-10,13H2,(H,19,22,24).
What are the key properties of 1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 325.37 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 71977444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).