3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one

C17H19ClN4O2 — CID 126797541

IUPAC3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one
SMILESCn1cncc1CCC(=O)N1CCNC(=O)C1c1ccccc1Cl
InChIInChI=1S/C17H19ClN4O2/c1-21-11-19-10-12(21)6-7-15(23)22-9-8-20-17(24)16(22)13-4-2-3-5-14(13)18/h2-5,10-11,16H,6-9H2,1H3,(H,20,24)
InChIKeyXHFRKBJBAVOODD-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.71
Rot. Bonds4

About 3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one

3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one (PubChem CID 126797541) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one
PubChem CID126797541
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one
SMILESCn1cncc1CCC(=O)N1CCNC(=O)C1c1ccccc1Cl
InChIInChI=1S/C17H19ClN4O2/c1-21-11-19-10-12(21)6-7-15(23)22-9-8-20-17(24)16(22)13-4-2-3-5-14(13)18/h2-5,10-11,16H,6-9H2,1H3,(H,20,24)
InChIKeyXHFRKBJBAVOODD-UHFFFAOYSA-N
XLogP1.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one
CID 86788537
3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 75503479
(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
CID 99628590
3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 75477067
3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one
CID 75503478
3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122066378
3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110657344
2-[4-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 110657054
3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 110657333
3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one
CID 75520617
3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one
CID 75503471

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one (CID 126797541) is 3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one is Cn1cncc1CCC(=O)N1CCNC(=O)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one?
The InChIKey is XHFRKBJBAVOODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-21-11-19-10-12(21)6-7-15(23)22-9-8-20-17(24)16(22)13-4-2-3-5-14(13)18/h2-5,10-11,16H,6-9H2,1H3,(H,20,24).
What are the key properties of 3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one?
3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one has a molecular weight of 346.82 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 126797541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).