(1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone

C23H23Cl2N3O3 — CID 112821649

IUPAC(1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)C2CCCN2C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H23Cl2N3O3/c24-17-8-9-18(19(25)15-17)22(30)26-11-13-27(14-12-26)23(31)20-7-4-10-28(20)21(29)16-5-2-1-3-6-16/h1-3,5-6,8-9,15,20H,4,7,10-14H2
InChIKeyAVDIKPYZMBKPEE-UHFFFAOYSA-N
MW460.36 g/mol
LogP3.58
Rot. Bonds3

About (1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone

(1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone (PubChem CID 112821649) has the molecular formula C23H23Cl2N3O3 and a molecular weight of 460.36 g/mol. Its IUPAC name is (1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
PubChem CID112821649
Molecular FormulaC23H23Cl2N3O3
Molecular Weight460.36 g/mol
Exact Mass459.11
IUPAC Name(1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)C2CCCN2C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H23Cl2N3O3/c24-17-8-9-18(19(25)15-17)22(30)26-11-13-27(14-12-26)23(31)20-7-4-10-28(20)21(29)16-5-2-1-3-6-16/h1-3,5-6,8-9,15,20H,4,7,10-14H2
InChIKeyAVDIKPYZMBKPEE-UHFFFAOYSA-N
XLogP3.58
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 112837414
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 55850354
[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 95282111
[1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859316
[(2R)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 51937265
[(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone
CID 95279808
[2-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexylmethanone
CID 55730027
(3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone
CID 119380930
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
(2S)-1-(2,4-dichlorobenzoyl)pyrrolidine-2-carboxylate;propan-2-ylazanium
CID 110191771
[2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55660699

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone (CID 112821649) is (1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)C2CCCN2C(=O)c2ccccc2)CC1.
What is the InChIKey of (1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is AVDIKPYZMBKPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O3/c24-17-8-9-18(19(25)15-17)22(30)26-11-13-27(14-12-26)23(31)20-7-4-10-28(20)21(29)16-5-2-1-3-6-16/h1-3,5-6,8-9,15,20H,4,7,10-14H2.
What are the key properties of (1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
(1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 460.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 112821649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).