5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione

C16H17ClN4O3 — CID 120802342

IUPAC5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCNCC2c2cccc(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C16H17ClN4O3/c1-20-9-12(14(22)19-16(20)24)15(23)21-6-5-18-8-13(21)10-3-2-4-11(17)7-10/h2-4,7,9,13,18H,5-6,8H2,1H3,(H,19,22,24)
InChIKeyWEXQMDYUXUOPCP-UHFFFAOYSA-N
MW348.79 g/mol
LogP0.51
Rot. Bonds2

About 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione

5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione (PubChem CID 120802342) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione
PubChem CID120802342
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCNCC2c2cccc(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C16H17ClN4O3/c1-20-9-12(14(22)19-16(20)24)15(23)21-6-5-18-8-13(21)10-3-2-4-11(17)7-10/h2-4,7,9,13,18H,5-6,8H2,1H3,(H,19,22,24)
InChIKeyWEXQMDYUXUOPCP-UHFFFAOYSA-N
XLogP0.51
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-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-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 120802754
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
5-[2-(3-fluorophenyl)azepane-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 91793434
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
CID 120802746
[2-(3-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 120802318
[2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 120803215
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5-nitrophenyl)methanone;hydrochloride
CID 120801969
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methyl-5-nitropyrrol-2-yl)methanone;hydrochloride
CID 120802613

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione (CID 120802342) is 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione is Cn1cc(C(=O)N2CCNCC2c2cccc(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is WEXQMDYUXUOPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-20-9-12(14(22)19-16(20)24)15(23)21-6-5-18-8-13(21)10-3-2-4-11(17)7-10/h2-4,7,9,13,18H,5-6,8H2,1H3,(H,19,22,24).
What are the key properties of 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 348.79 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 120802342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).