4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride

C18H30ClN3O3 — CID 119445383

IUPAC4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
SMILESCCOc1ccc(OCCCC(=O)NCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C18H29N3O3.ClH/c1-2-23-16-5-7-17(8-6-16)24-15-3-4-18(22)20-11-14-21-12-9-19-10-13-21;/h5-8,19H,2-4,9-15H2,1H3,(H,20,22);1H
InChIKeyJEXDCNOAAFEESL-UHFFFAOYSA-N
MW371.91 g/mol
LogP1.69
Rot. Bonds10

About 4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride

4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride (PubChem CID 119445383) has the molecular formula C18H30ClN3O3 and a molecular weight of 371.91 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
PubChem CID119445383
Molecular FormulaC18H30ClN3O3
Molecular Weight371.91 g/mol
Exact Mass371.20
IUPAC Name4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
SMILESCCOc1ccc(OCCCC(=O)NCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C18H29N3O3.ClH/c1-2-23-16-5-7-17(8-6-16)24-15-3-4-18(22)20-11-14-21-12-9-19-10-13-21;/h5-8,19H,2-4,9-15H2,1H3,(H,20,22);1H
InChIKeyJEXDCNOAAFEESL-UHFFFAOYSA-N
XLogP1.69
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 51.69
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

4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031
4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119448841
3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445997
3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391711
1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
CID 2943850
4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119444966
2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
CID 119446636
3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119447173
3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119447863
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483
4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534000
N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide
CID 119382448

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The IUPAC name of 4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride (CID 119445383) is 4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride is CCOc1ccc(OCCCC(=O)NCCN2CCNCC2)cc1.Cl.
What is the InChIKey of 4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The InChIKey is JEXDCNOAAFEESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3.ClH/c1-2-23-16-5-7-17(8-6-16)24-15-3-4-18(22)20-11-14-21-12-9-19-10-13-21;/h5-8,19H,2-4,9-15H2,1H3,(H,20,22);1H.
What are the key properties of 4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119445383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).