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

C18H28ClN3O3 — CID 119448841

IUPAC4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
SMILESCCOc1ccc(C(=O)CCC(=O)NCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-2-24-16-5-3-15(4-6-16)17(22)7-8-18(23)20-11-14-21-12-9-19-10-13-21;/h3-6,19H,2,7-14H2,1H3,(H,20,23);1H
InChIKeyPHVQGQJMBUBPBI-UHFFFAOYSA-N
MW369.89 g/mol
LogP1.49
Rot. Bonds9

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

4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride (PubChem CID 119448841) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
PubChem CID119448841
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
SMILESCCOc1ccc(C(=O)CCC(=O)NCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-2-24-16-5-3-15(4-6-16)17(22)7-8-18(23)20-11-14-21-12-9-19-10-13-21;/h3-6,19H,2,7-14H2,1H3,(H,20,23);1H
InChIKeyPHVQGQJMBUBPBI-UHFFFAOYSA-N
XLogP1.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031
3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445997
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229
4-oxo-N-(2-piperazin-1-ylethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 119448949
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119537733
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119444966
N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 134046513
2-ethoxy-N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]benzamide;hydrochloride
CID 119446636
4-oxo-N-(2-pyrrolidin-1-ylethyl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108350
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride (CID 119448841) is 4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride is CCOc1ccc(C(=O)CCC(=O)NCCN2CCNCC2)cc1.Cl.
What is the InChIKey of 4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The InChIKey is PHVQGQJMBUBPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-2-24-16-5-3-15(4-6-16)17(22)7-8-18(23)20-11-14-21-12-9-19-10-13-21;/h3-6,19H,2,7-14H2,1H3,(H,20,23);1H.
What are the key properties of 4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119448841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).