2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide

C21H25N3O5 — CID 9089096

IUPAC2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(OCC(N)=O)c(OC)c3)CC2)c1
InChIInChI=1S/C21H25N3O5/c1-27-17-5-3-4-16(13-17)23-8-10-24(11-9-23)21(26)15-6-7-18(19(12-15)28-2)29-14-20(22)25/h3-7,12-13H,8-11,14H2,1-2H3,(H2,22,25)
InChIKeyZRTSUZDFNVWVFN-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.53
Rot. Bonds7

About 2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide

2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide (PubChem CID 9089096) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
PubChem CID9089096
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(OCC(N)=O)c(OC)c3)CC2)c1
InChIInChI=1S/C21H25N3O5/c1-27-17-5-3-4-16(13-17)23-8-10-24(11-9-23)21(26)15-6-7-18(19(12-15)28-2)29-14-20(22)25/h3-7,12-13H,8-11,14H2,1-2H3,(H2,22,25)
InChIKeyZRTSUZDFNVWVFN-UHFFFAOYSA-N
XLogP1.53
TPSA94.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 8968543
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
methyl 3-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]benzoate
CID 113078463
2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 32771644
[4-(3-chlorophenyl)piperazin-1-yl]-(3-methoxy-4-propoxyphenyl)methanone
CID 9146603
(3,4-dimethoxyphenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 991613
(3,4-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1074824
[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 31912991
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110368800
[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 31911957
2-[2-methoxy-4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 46649792

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide (CID 9089096) is 2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide is COc1cccc(N2CCN(C(=O)c3ccc(OCC(N)=O)c(OC)c3)CC2)c1.
What is the InChIKey of 2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide?
The InChIKey is ZRTSUZDFNVWVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-27-17-5-3-4-16(13-17)23-8-10-24(11-9-23)21(26)15-6-7-18(19(12-15)28-2)29-14-20(22)25/h3-7,12-13H,8-11,14H2,1-2H3,(H2,22,25).
What are the key properties of 2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide?
2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide has a molecular weight of 399.45 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 9089096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).