3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

C16H26ClN3O3 — CID 119444759

IUPAC3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCOCCOc1cccc(C(=O)NCCN2CCNCC2)c1.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-21-11-12-22-15-4-2-3-14(13-15)16(20)18-7-10-19-8-5-17-6-9-19;/h2-4,13,17H,5-12H2,1H3,(H,18,20);1H
InChIKeyREGYCTJNLZOETR-UHFFFAOYSA-N
MW343.86 g/mol
LogP0.77
Rot. Bonds8

About 3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119444759) has the molecular formula C16H26ClN3O3 and a molecular weight of 343.86 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119444759
Molecular FormulaC16H26ClN3O3
Molecular Weight343.86 g/mol
Exact Mass343.17
IUPAC Name3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCOCCOc1cccc(C(=O)NCCN2CCNCC2)c1.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-21-11-12-22-15-4-2-3-14(13-15)16(20)18-7-10-19-8-5-17-6-9-19;/h2-4,13,17H,5-12H2,1H3,(H,18,20);1H
InChIKeyREGYCTJNLZOETR-UHFFFAOYSA-N
XLogP0.77
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119447173
N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119394379
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 119391833
1,4-diazepan-1-yl-[3-(2-methoxyethoxy)phenyl]methanone
CID 119414051

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119444759) is 3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is COCCOc1cccc(C(=O)NCCN2CCNCC2)c1.Cl.
What is the InChIKey of 3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is REGYCTJNLZOETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3.ClH/c1-21-11-12-22-15-4-2-3-14(13-15)16(20)18-7-10-19-8-5-17-6-9-19;/h2-4,13,17H,5-12H2,1H3,(H,18,20);1H.
What are the key properties of 3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119444759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).