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

C20H24ClN3O2 — CID 34704521

IUPAC4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H24ClN3O2/c21-18-5-7-19(8-6-18)26-14-13-23-9-11-24(12-10-23)15-16-1-3-17(4-2-16)20(22)25/h1-8H,9-15H2,(H2,22,25)
InChIKeyYBOXLLPVDUHBGX-UHFFFAOYSA-N
MW373.88 g/mol
LogP2.64
Rot. Bonds7

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

4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide (PubChem CID 34704521) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide
PubChem CID34704521
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H24ClN3O2/c21-18-5-7-19(8-6-18)26-14-13-23-9-11-24(12-10-23)15-16-1-3-17(4-2-16)20(22)25/h1-8H,9-15H2,(H2,22,25)
InChIKeyYBOXLLPVDUHBGX-UHFFFAOYSA-N
XLogP2.64
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 30737845
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide
CID 18526260
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
2-(4-chlorophenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638356
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide (CID 34704521) is 4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide?
The InChIKey is YBOXLLPVDUHBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c21-18-5-7-19(8-6-18)26-14-13-23-9-11-24(12-10-23)15-16-1-3-17(4-2-16)20(22)25/h1-8H,9-15H2,(H2,22,25).
What are the key properties of 4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide?
4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide has a molecular weight of 373.88 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 34704521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).