2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide

C21H23Cl2N3O3 — CID 78801291

IUPAC2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H23Cl2N3O3/c1-24-20(27)13-25-8-10-26(11-9-25)21(28)17-4-2-3-5-19(17)29-14-15-6-7-16(22)12-18(15)23/h2-7,12H,8-11,13-14H2,1H3,(H,24,27)
InChIKeyXEHBEJWWWDHGPN-UHFFFAOYSA-N
MW436.34 g/mol
LogP3.08
Rot. Bonds6

About 2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide

2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 78801291) has the molecular formula C21H23Cl2N3O3 and a molecular weight of 436.34 g/mol. Its IUPAC name is 2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide
PubChem CID78801291
Molecular FormulaC21H23Cl2N3O3
Molecular Weight436.34 g/mol
Exact Mass435.11
IUPAC Name2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H23Cl2N3O3/c1-24-20(27)13-25-8-10-26(11-9-25)21(28)17-4-2-3-5-19(17)29-14-15-6-7-16(22)12-18(15)23/h2-7,12H,8-11,13-14H2,1H3,(H,24,27)
InChIKeyXEHBEJWWWDHGPN-UHFFFAOYSA-N
XLogP3.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38724959
[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-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 60588635
2-[4-[2-[(4-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-propylacetamide
CID 134014545
[2-[(2,4-dichlorophenyl)methoxy]phenyl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112814460
2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110835
[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
2-[4-[2-(3,4-dichlorobenzoyl)benzoyl]-1,4-diazepan-1-yl]-N-methylacetamide
CID 166195242
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 55739673

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide (CID 78801291) is 2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is XEHBEJWWWDHGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3/c1-24-20(27)13-25-8-10-26(11-9-25)21(28)17-4-2-3-5-19(17)29-14-15-6-7-16(22)12-18(15)23/h2-7,12H,8-11,13-14H2,1H3,(H,24,27).
What are the key properties of 2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide?
2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 436.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2,4-dichlorophenyl)methoxy]benzoyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 78801291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).