N-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide

C17H19N3O2 — CID 122184995

IUPACN-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N3O2/c21-16-8-6-14(7-9-16)18-17(22)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,18,22)
InChIKeyTYSNQBHFNAIYOR-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.75
Rot. Bonds2

About N-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide

N-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide (PubChem CID 122184995) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
PubChem CID122184995
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N3O2/c21-16-8-6-14(7-9-16)18-17(22)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,18,22)
InChIKeyTYSNQBHFNAIYOR-UHFFFAOYSA-N
XLogP2.75
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide (CID 122184995) is N-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide is O=C(Nc1ccc(O)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is TYSNQBHFNAIYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-8-6-14(7-9-16)18-17(22)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,18,22).
What are the key properties of N-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide?
N-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 122184995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).