4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide

C20H25N3O2S — CID 122560798

IUPAC4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCSc1ccccc1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H25N3O2S/c24-18-9-7-17(8-10-18)22-12-14-23(15-13-22)20(25)21-11-4-16-26-19-5-2-1-3-6-19/h1-3,5-10,24H,4,11-16H2,(H,21,25)
InChIKeyGILWVFPOICKSBO-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.41
Rot. Bonds6

About 4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide

4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide (PubChem CID 122560798) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide
PubChem CID122560798
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCSc1ccccc1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H25N3O2S/c24-18-9-7-17(8-10-18)22-12-14-23(15-13-22)20(25)21-11-4-16-26-19-5-2-1-3-6-19/h1-3,5-10,24H,4,11-16H2,(H,21,25)
InChIKeyGILWVFPOICKSBO-UHFFFAOYSA-N
XLogP3.41
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.41
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

4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid
CID 61183899
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
4-benzoyl-N-(3-phenylsulfanylpropyl)piperidine-1-carboxamide
CID 42063342
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide
CID 125438027
4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837389
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110182
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110204

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide (CID 122560798) is 4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide is O=C(NCCCSc1ccccc1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide?
The InChIKey is GILWVFPOICKSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-18-9-7-17(8-10-18)22-12-14-23(15-13-22)20(25)21-11-4-16-26-19-5-2-1-3-6-19/h1-3,5-10,24H,4,11-16H2,(H,21,25).
What are the key properties of 4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide?
4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 122560798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).