N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide

C15H23N3OS — CID 107024029

IUPACN-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)NCCCN1CCNCC1
InChIInChI=1S/C15H23N3OS/c19-15(12-13-2-4-14(20)5-3-13)17-6-1-9-18-10-7-16-8-11-18/h2-5,16,20H,1,6-12H2,(H,17,19)
InChIKeyVQPRXEKZSROIIA-UHFFFAOYSA-N
MW293.44 g/mol
LogP0.93
Rot. Bonds6

About N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide

N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107024029) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107024029
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)NCCCN1CCNCC1
InChIInChI=1S/C15H23N3OS/c19-15(12-13-2-4-14(20)5-3-13)17-6-1-9-18-10-7-16-8-11-18/h2-5,16,20H,1,6-12H2,(H,17,19)
InChIKeyVQPRXEKZSROIIA-UHFFFAOYSA-N
XLogP0.93
TPSA44.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251
N-(3-piperazin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119393716
N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 119392944
2-(1,3-benzodioxol-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392274
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391201
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
2-(3-fluoro-4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390744
2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106327305

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide (CID 107024029) is N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide is O=C(Cc1ccc(S)cc1)NCCCN1CCNCC1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is VQPRXEKZSROIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c19-15(12-13-2-4-14(20)5-3-13)17-6-1-9-18-10-7-16-8-11-18/h2-5,16,20H,1,6-12H2,(H,17,19).
What are the key properties of N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide?
N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 293.44 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107024029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).