2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride

C17H27Cl2N3O2 — CID 119393611

IUPAC2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCCC(Oc1ccccc1Cl)C(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C17H26ClN3O2.ClH/c1-2-15(23-16-7-4-3-6-14(16)18)17(22)20-8-5-11-21-12-9-19-10-13-21;/h3-4,6-7,15,19H,2,5,8-13H2,1H3,(H,20,22);1H
InChIKeyAGMZAJQGQRLWEB-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.33
Rot. Bonds8

About 2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride

2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride (PubChem CID 119393611) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
PubChem CID119393611
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC Name2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCCC(Oc1ccccc1Cl)C(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C17H26ClN3O2.ClH/c1-2-15(23-16-7-4-3-6-14(16)18)17(22)20-8-5-11-21-12-9-19-10-13-21;/h3-4,6-7,15,19H,2,5,8-13H2,1H3,(H,20,22);1H
InChIKeyAGMZAJQGQRLWEB-UHFFFAOYSA-N
XLogP2.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.33
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

3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 99952065
2-(3-methylphenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393618
2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide
CID 46763359
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486249
2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389291
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide
CID 28632344
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 94040489
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392698
2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 43885641

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The IUPAC name of 2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride (CID 119393611) is 2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride is CCC(Oc1ccccc1Cl)C(=O)NCCCN1CCNCC1.Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The InChIKey is AGMZAJQGQRLWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2.ClH/c1-2-15(23-16-7-4-3-6-14(16)18)17(22)20-8-5-11-21-12-9-19-10-13-21;/h3-4,6-7,15,19H,2,5,8-13H2,1H3,(H,20,22);1H.
What are the key properties of 2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride has a molecular weight of 376.33 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride is sourced from PubChem (CID 119393611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).