2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

C20H34ClN3O2 — CID 119391638

IUPAC2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C20H33N3O2.ClH/c1-16(25-18-8-6-17(7-9-18)20(2,3)4)19(24)22-10-5-13-23-14-11-21-12-15-23;/h6-9,16,21H,5,10-15H2,1-4H3,(H,22,24);1H
InChIKeyRGAMRXZKBJDQBV-UHFFFAOYSA-N
MW383.96 g/mol
LogP2.58
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (PubChem CID 119391638) has the molecular formula C20H34ClN3O2 and a molecular weight of 383.96 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
PubChem CID119391638
Molecular FormulaC20H34ClN3O2
Molecular Weight383.96 g/mol
Exact Mass383.23
IUPAC Name2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C20H33N3O2.ClH/c1-16(25-18-8-6-17(7-9-18)20(2,3)4)19(24)22-10-5-13-23-14-11-21-12-15-23;/h6-9,16,21H,5,10-15H2,1-4H3,(H,22,24);1H
InChIKeyRGAMRXZKBJDQBV-UHFFFAOYSA-N
XLogP2.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.96
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445906
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
CID 51176280
2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391090
2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445694
(2R)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99702455
(2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99702454
2-(2-bromo-4-methylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391338
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
CID 111429477
2-(4-tert-butylphenoxy)-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide
CID 60552437
4-methoxy-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide;hydrochloride
CID 119392270
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (CID 119391638) is 2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCNCC1.Cl.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The InChIKey is RGAMRXZKBJDQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2.ClH/c1-16(25-18-8-6-17(7-9-18)20(2,3)4)19(24)22-10-5-13-23-14-11-21-12-15-23;/h6-9,16,21H,5,10-15H2,1-4H3,(H,22,24);1H.
What are the key properties of 2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride has a molecular weight of 383.96 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119391638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).