4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide

C21H23Cl2N3O3 — CID 38724959

IUPAC4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H23Cl2N3O3/c1-24(2)21(28)26-11-9-25(10-12-26)20(27)17-5-3-4-6-19(17)29-14-15-7-8-16(22)13-18(15)23/h3-8,13H,9-12,14H2,1-2H3
InChIKeyUOGKWXUWZWIWNP-UHFFFAOYSA-N
MW436.34 g/mol
LogP4.01
Rot. Bonds4

About 4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide

4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 38724959) has the molecular formula C21H23Cl2N3O3 and a molecular weight of 436.34 g/mol. Its IUPAC name is 4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID38724959
Molecular FormulaC21H23Cl2N3O3
Molecular Weight436.34 g/mol
Exact Mass435.11
IUPAC Name4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H23Cl2N3O3/c1-24(2)21(28)26-11-9-25(10-12-26)20(27)17-5-3-4-6-19(17)29-14-15-7-8-16(22)13-18(15)23/h3-8,13H,9-12,14H2,1-2H3
InChIKeyUOGKWXUWZWIWNP-UHFFFAOYSA-N
XLogP4.01
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2,4-dichlorophenyl)methoxy]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 60590462
(4-aminopiperidin-1-yl)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 119374451
2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide
CID 78801291
[2-[(2,4-dichlorophenyl)methoxy]phenyl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112814460
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674
[2-[(2-chlorophenyl)methoxy]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856709
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
2-[(2,4-dichlorophenyl)methoxy]-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 124669662
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 2119312
ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 27555052
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 2367031

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide (CID 38724959) is 4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is UOGKWXUWZWIWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3/c1-24(2)21(28)26-11-9-25(10-12-26)20(27)17-5-3-4-6-19(17)29-14-15-7-8-16(22)13-18(15)23/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 436.34 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 38724959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).