2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide

C22H27N3O4 — CID 8968543

IUPAC2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OCC(N)=O
InChIInChI=1S/C22H27N3O4/c1-15-5-4-6-18(16(15)2)24-9-11-25(12-10-24)22(27)17-7-8-19(20(13-17)28-3)29-14-21(23)26/h4-8,13H,9-12,14H2,1-3H3,(H2,23,26)
InChIKeyYGKKUGKBRWXLME-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.14
Rot. Bonds6

About 2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide

2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide (PubChem CID 8968543) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
PubChem CID8968543
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OCC(N)=O
InChIInChI=1S/C22H27N3O4/c1-15-5-4-6-18(16(15)2)24-9-11-25(12-10-24)22(27)17-7-8-19(20(13-17)28-3)29-14-21(23)26/h4-8,13H,9-12,14H2,1-3H3,(H2,23,26)
InChIKeyYGKKUGKBRWXLME-UHFFFAOYSA-N
XLogP2.14
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
CID 27259483
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 17471283
2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 9089096
2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 32771644
(4-butoxy-3-methoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112766369
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methoxy-4-prop-1-enylphenoxy)ethanone
CID 74514826
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)methanone
CID 18892270
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinoxalin-2-one
CID 136817919
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 9155543

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide (CID 8968543) is 2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide is COc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide?
The InChIKey is YGKKUGKBRWXLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15-5-4-6-18(16(15)2)24-9-11-25(12-10-24)22(27)17-7-8-19(20(13-17)28-3)29-14-21(23)26/h4-8,13H,9-12,14H2,1-3H3,(H2,23,26).
What are the key properties of 2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide?
2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide has a molecular weight of 397.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 8968543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).