N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide

C19H22N4O3 — CID 55696051

IUPACN-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCN(c3ccccc3O)CC2)c1
InChIInChI=1S/C19H22N4O3/c1-14(24)20-15-5-4-6-16(13-15)21-19(26)23-11-9-22(10-12-23)17-7-2-3-8-18(17)25/h2-8,13,25H,9-12H2,1H3,(H,20,24)(H,21,26)
InChIKeyKCUMPWFSEWGIJF-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.70
Rot. Bonds3

About N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide

N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide (PubChem CID 55696051) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
PubChem CID55696051
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCN(c3ccccc3O)CC2)c1
InChIInChI=1S/C19H22N4O3/c1-14(24)20-15-5-4-6-16(13-15)21-19(26)23-11-9-22(10-12-23)17-7-2-3-8-18(17)25/h2-8,13,25H,9-12H2,1H3,(H,20,24)(H,21,26)
InChIKeyKCUMPWFSEWGIJF-UHFFFAOYSA-N
XLogP2.70
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 27869268
4-(2-hydroxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 86988121
N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696657
N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 136523247
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114078
N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113112200
N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114278
N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113104003
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113737
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide (CID 55696051) is N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide is CC(=O)Nc1cccc(NC(=O)N2CCN(c3ccccc3O)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The InChIKey is KCUMPWFSEWGIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14(24)20-15-5-4-6-16(13-15)21-19(26)23-11-9-22(10-12-23)17-7-2-3-8-18(17)25/h2-8,13,25H,9-12H2,1H3,(H,20,24)(H,21,26).
What are the key properties of N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 55696051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).