N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide

C17H19N3O2 — CID 108871577

IUPACN-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N3O2/c21-16-9-5-4-8-15(16)18-17(22)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-9,21H,10-13H2,(H,18,22)
InChIKeyKGQLQBJFLKSOTQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.75
Rot. Bonds2

About N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide

N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide (PubChem CID 108871577) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
PubChem CID108871577
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N3O2/c21-16-9-5-4-8-15(16)18-17(22)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-9,21H,10-13H2,(H,18,22)
InChIKeyKGQLQBJFLKSOTQ-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': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108514381
N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide
CID 130450356
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381
N-(1H-indol-3-yl)-4-phenylpiperazine-1-carboxamide
CID 7595792
N-(2-hydroxyphenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 68992823
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide (CID 108871577) is N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is KGQLQBJFLKSOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-9-5-4-8-15(16)18-17(22)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-9,21H,10-13H2,(H,18,22).
What are the key properties of N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide?
N-(2-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-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 108871577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).