1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one

C18H23Cl2N3O2 — CID 110603511

IUPAC1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H23Cl2N3O2/c19-14-3-4-15(16(20)13-14)18(25)23-11-9-22(10-12-23)17(24)5-8-21-6-1-2-7-21/h3-4,13H,1-2,5-12H2
InChIKeyZLQGGCBMNLPWGS-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.76
Rot. Bonds4

About 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one

1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 110603511) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
PubChem CID110603511
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H23Cl2N3O2/c19-14-3-4-15(16(20)13-14)18(25)23-11-9-22(10-12-23)17(24)5-8-21-6-1-2-7-21/h3-4,13H,1-2,5-12H2
InChIKeyZLQGGCBMNLPWGS-UHFFFAOYSA-N
XLogP2.76
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817882
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364942
3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 2050573
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 52541764
(4-chloro-2-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 122145539
1-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one
CID 110799323
(2,4-dichlorophenyl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 37445550
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422478
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422603
1-[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108547420
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 108570061
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one (CID 110603511) is 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one is O=C(CCN1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZLQGGCBMNLPWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2/c19-14-3-4-15(16(20)13-14)18(25)23-11-9-22(10-12-23)17(24)5-8-21-6-1-2-7-21/h3-4,13H,1-2,5-12H2.
What are the key properties of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 384.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 110603511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).