4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide

C18H21N3O2 — CID 11522474

IUPAC4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C18H21N3O2/c22-17-9-5-4-6-15(17)14-20-10-12-21(13-11-20)18(23)19-16-7-2-1-3-8-16/h1-9,22H,10-14H2,(H,19,23)
InChIKeyBBPFHRNBSFZQJQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.74
Rot. Bonds3

About 4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide

4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 11522474) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID11522474
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C18H21N3O2/c22-17-9-5-4-6-15(17)14-20-10-12-21(13-11-20)18(23)19-16-7-2-1-3-8-16/h1-9,22H,10-14H2,(H,19,23)
InChIKeyBBPFHRNBSFZQJQ-UHFFFAOYSA-N
XLogP2.74
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(Anilinomethyl)phenol
CID 220804
1-[(5-Bromo-2-hydroxyphenyl)methyl]-1-(4-fluorophenyl)-3-phenylurea
CID 53357475
1-[(5-Bromo-2-hydroxyphenyl)methyl]-1-(2-bromophenyl)-3-phenylurea
CID 56676857
1-[(5-Bromo-2-hydroxyphenyl)methyl]-1-(4-bromophenyl)-3-phenylurea
CID 56676858
1-[(5-Bromo-2-hydroxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea
CID 56680181
1-[(5-Bromo-2-hydroxyphenyl)methyl]-1-(2-fluorophenyl)-3-phenylurea
CID 56683524
[4-[(4-Benzylpiperazine-1-carbonyl)amino]phenyl] sulfamate
CID 122184984
[4-[[4-(3-Methylphenyl)piperazine-1-carbonyl]amino]phenyl] sulfamate
CID 122184988
N-[(2-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9156652
4-(4-hydroxyphenyl)-N-(2-phenylethyl)-1-piperazinecarbothioamide
CID 714480
Phenol, 2,2'-[1,2-phenylenebis(iminomethylene)]bis-
CID 6102658
2-(4-Benzyl-piperidin-1-yl)-N-(4-hydroxy-phenyl)-2-oxo-acetamide
CID 10290921

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide (CID 11522474) is 4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2ccccc2O)CC1.
What is the InChIKey of 4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is BBPFHRNBSFZQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-9-5-4-6-15(17)14-20-10-12-21(13-11-20)18(23)19-16-7-2-1-3-8-16/h1-9,22H,10-14H2,(H,19,23).
What are the key properties of 4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide?
4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 11522474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).