[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone

C23H23Cl2N3O4 — CID 55850354

IUPAC[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1O)N1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C23H23Cl2N3O4/c24-16-12-15(13-17(25)14-16)21(30)28-7-3-5-19(28)23(32)27-10-8-26(9-11-27)22(31)18-4-1-2-6-20(18)29/h1-2,4,6,12-14,19,29H,3,5,7-11H2
InChIKeyRRZDLOOUODIPSG-UHFFFAOYSA-N
MW476.36 g/mol
LogP3.29
Rot. Bonds3

About [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone

[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone (PubChem CID 55850354) has the molecular formula C23H23Cl2N3O4 and a molecular weight of 476.36 g/mol. Its IUPAC name is [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
PubChem CID55850354
Molecular FormulaC23H23Cl2N3O4
Molecular Weight476.36 g/mol
Exact Mass475.11
IUPAC Name[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1O)N1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C23H23Cl2N3O4/c24-16-12-15(13-17(25)14-16)21(30)28-7-3-5-19(28)23(32)27-10-8-26(9-11-27)22(31)18-4-1-2-6-20(18)29/h1-2,4,6,12-14,19,29H,3,5,7-11H2
InChIKeyRRZDLOOUODIPSG-UHFFFAOYSA-N
XLogP3.29
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 112821649
N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide
CID 49347636
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone
CID 94011491
1-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55608140
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487679
[1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859316
2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55607635
1-[4-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 55607675
(1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 112837414
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
[(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone
CID 95279808
N-[4-(azepane-1-carbonyl)phenyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55887233

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone (CID 55850354) is [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone is O=C(c1ccccc1O)N1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is RRZDLOOUODIPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O4/c24-16-12-15(13-17(25)14-16)21(30)28-7-3-5-19(28)23(32)27-10-8-26(9-11-27)22(31)18-4-1-2-6-20(18)29/h1-2,4,6,12-14,19,29H,3,5,7-11H2.
What are the key properties of [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone?
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 476.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55850354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).