1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one

C15H16Cl2N2O3 — CID 110720754

IUPAC1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C15H16Cl2N2O3/c16-10-1-4-13(12(17)7-10)22-9-15(21)18-5-6-19(11-2-3-11)14(20)8-18/h1,4,7,11H,2-3,5-6,8-9H2
InChIKeyCNDXUHHPBGDPQS-UHFFFAOYSA-N
MW343.21 g/mol
LogP2.21
Rot. Bonds4

About 1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one

1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one (PubChem CID 110720754) has the molecular formula C15H16Cl2N2O3 and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one
PubChem CID110720754
Molecular FormulaC15H16Cl2N2O3
Molecular Weight343.21 g/mol
Exact Mass342.05
IUPAC Name1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C15H16Cl2N2O3/c16-10-1-4-13(12(17)7-10)22-9-15(21)18-5-6-19(11-2-3-11)14(20)8-18/h1,4,7,11H,2-3,5-6,8-9H2
InChIKeyCNDXUHHPBGDPQS-UHFFFAOYSA-N
XLogP2.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-sulfanylpropan-1-one
CID 71819731
2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63762229
4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
CID 110720798
4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one
CID 126855630
1-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 166893420
1-[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 155952715
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108533425
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110817700
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 39711810
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536086
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one?
The IUPAC name of 1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one (CID 110720754) is 1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one is O=C(COc1ccc(Cl)cc1Cl)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one?
The InChIKey is CNDXUHHPBGDPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O3/c16-10-1-4-13(12(17)7-10)22-9-15(21)18-5-6-19(11-2-3-11)14(20)8-18/h1,4,7,11H,2-3,5-6,8-9H2.
What are the key properties of 1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one?
1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one has a molecular weight of 343.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one is sourced from PubChem (CID 110720754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).