3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide

C15H23N3O2 — CID 119447922

IUPAC3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
SMILESCCOc1cccc(C(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C15H23N3O2/c1-2-20-14-5-3-4-13(12-14)15(19)17-8-11-18-9-6-16-7-10-18/h3-5,12,16H,2,6-11H2,1H3,(H,17,19)
InChIKeyMEZHHQHDNQWAEU-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.72
Rot. Bonds6

About 3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide

3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 119447922) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID119447922
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
SMILESCCOc1cccc(C(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C15H23N3O2/c1-2-20-14-5-3-4-13(12-14)15(19)17-8-11-18-9-6-16-7-10-18/h3-5,12,16H,2,6-11H2,1H3,(H,17,19)
InChIKeyMEZHHQHDNQWAEU-UHFFFAOYSA-N
XLogP0.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
3-ethoxy-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581819
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
CID 2944385
N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 119391833
N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119394379
3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide
CID 119446970

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide (CID 119447922) is 3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide is CCOc1cccc(C(=O)NCCN2CCNCC2)c1.
What is the InChIKey of 3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is MEZHHQHDNQWAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-20-14-5-3-4-13(12-14)15(19)17-8-11-18-9-6-16-7-10-18/h3-5,12,16H,2,6-11H2,1H3,(H,17,19).
What are the key properties of 3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide?
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 277.37 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 119447922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).