4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide

C21H27N3O3 — CID 30737845

IUPAC4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
SMILESCOc1ccc(OCCN2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-19-6-8-20(9-7-19)27-15-14-23-10-12-24(13-11-23)16-17-2-4-18(5-3-17)21(22)25/h2-9H,10-16H2,1H3,(H2,22,25)
InChIKeyHZKTYIMIMKQAIX-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.99
Rot. Bonds8

About 4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide

4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide (PubChem CID 30737845) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
PubChem CID30737845
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
SMILESCOc1ccc(OCCN2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-19-6-8-20(9-7-19)27-15-14-23-10-12-24(13-11-23)16-17-2-4-18(5-3-17)21(22)25/h2-9H,10-16H2,1H3,(H2,22,25)
InChIKeyHZKTYIMIMKQAIX-UHFFFAOYSA-N
XLogP1.99
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 34704521
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 9398842
(4-ethylphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571378
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide
CID 18526260
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide
CID 91116090
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
CID 30746046

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide (CID 30737845) is 4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide is COc1ccc(OCCN2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1.
What is the InChIKey of 4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide?
The InChIKey is HZKTYIMIMKQAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-19-6-8-20(9-7-19)27-15-14-23-10-12-24(13-11-23)16-17-2-4-18(5-3-17)21(22)25/h2-9H,10-16H2,1H3,(H2,22,25).
What are the key properties of 4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide?
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 30737845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).