4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one

C23H24Cl2N4O3 — CID 17121263

IUPAC4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(Cl)cc2Cl)C1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H24Cl2N4O3/c24-16-6-7-18(19(25)14-16)23(32)29-9-8-26-22(31)20(29)15-21(30)28-12-10-27(11-13-28)17-4-2-1-3-5-17/h1-7,14,20H,8-13,15H2,(H,26,31)
InChIKeyFIJIKXHHHQDVDM-UHFFFAOYSA-N
MW475.38 g/mol
LogP2.67
Rot. Bonds4

About 4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one

4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one (PubChem CID 17121263) has the molecular formula C23H24Cl2N4O3 and a molecular weight of 475.38 g/mol. Its IUPAC name is 4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
PubChem CID17121263
Molecular FormulaC23H24Cl2N4O3
Molecular Weight475.38 g/mol
Exact Mass474.12
IUPAC Name4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(Cl)cc2Cl)C1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H24Cl2N4O3/c24-16-6-7-18(19(25)14-16)23(32)29-9-8-26-22(31)20(29)15-21(30)28-12-10-27(11-13-28)17-4-2-1-3-5-17/h1-7,14,20H,8-13,15H2,(H,26,31)
InChIKeyFIJIKXHHHQDVDM-UHFFFAOYSA-N
XLogP2.67
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one with MolForge

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Related Compounds

(3S)-4-(2-fluorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 41384841
(3R)-4-(2-fluorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 41384840
(2S)-N-(3,4-dichlorophenyl)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide
CID 41384858
(3R)-4-(4-bromobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 41384843
(2S)-N-(4-chlorophenyl)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carbothioamide
CID 41455840
(2S)-N-(3,5-dichlorophenyl)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carbothioamide
CID 41455852
(3S)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-(2-methylbenzoyl)piperazin-2-one
CID 41281506
N-cyclohexyl-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboxamide
CID 17121266
pentyl 2-[1-(2,4-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073637
4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 17079347
(3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 40933027
(3S)-4-(3,4-dimethoxybenzoyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 41281501

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one (CID 17121263) is 4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one is O=C1NCCN(C(=O)c2ccc(Cl)cc2Cl)C1CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one?
The InChIKey is FIJIKXHHHQDVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O3/c24-16-6-7-18(19(25)14-16)23(32)29-9-8-26-22(31)20(29)15-21(30)28-12-10-27(11-13-28)17-4-2-1-3-5-17/h1-7,14,20H,8-13,15H2,(H,26,31).
What are the key properties of 4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one?
4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one has a molecular weight of 475.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorobenzoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 17121263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).