[(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone

C24H26ClN3O5 — CID 95279808

IUPAC[(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C24H26ClN3O5/c1-33-21-8-7-17(25)15-19(21)23(31)28-9-3-6-20(28)24(32)27-12-10-26(11-13-27)22(30)16-4-2-5-18(29)14-16/h2,4-5,7-8,14-15,20,29H,3,6,9-13H2,1H3/t20-/m1/s1
InChIKeyCMCNASIUXXSBFB-HXUWFJFHSA-N
MW471.94 g/mol
LogP2.64
Rot. Bonds4

About [(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone

[(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone (PubChem CID 95279808) has the molecular formula C24H26ClN3O5 and a molecular weight of 471.94 g/mol. Its IUPAC name is [(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone
PubChem CID95279808
Molecular FormulaC24H26ClN3O5
Molecular Weight471.94 g/mol
Exact Mass471.16
IUPAC Name[(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C24H26ClN3O5/c1-33-21-8-7-17(25)15-19(21)23(31)28-9-3-6-20(28)24(32)27-12-10-26(11-13-27)22(30)16-4-2-5-18(29)14-16/h2,4-5,7-8,14-15,20,29H,3,6,9-13H2,1H3/t20-/m1/s1
InChIKeyCMCNASIUXXSBFB-HXUWFJFHSA-N
XLogP2.64
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.94
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561047
[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone
CID 119415519
(3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119378579
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(3-chlorophenyl)methanone
CID 108545174
1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 55625538
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 1270397
1-(5-chloro-2-methoxybenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55623881
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of [(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone (CID 95279808) is [(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for [(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of [(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is CMCNASIUXXSBFB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26ClN3O5/c1-33-21-8-7-17(25)15-19(21)23(31)28-9-3-6-20(28)24(32)27-12-10-26(11-13-27)22(30)16-4-2-5-18(29)14-16/h2,4-5,7-8,14-15,20,29H,3,6,9-13H2,1H3/t20-/m1/s1.
What are the key properties of [(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone?
[(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 471.94 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 95279808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).