N-(4-acetamidophenyl)piperazine-2-carboxamide

C13H18N4O2 — CID 63103626

IUPACN-(4-acetamidophenyl)piperazine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CNCCN2)cc1
InChIInChI=1S/C13H18N4O2/c1-9(18)16-10-2-4-11(5-3-10)17-13(19)12-8-14-6-7-15-12/h2-5,12,14-15H,6-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyHGECBWISCVPVTP-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.14
Rot. Bonds3

About N-(4-acetamidophenyl)piperazine-2-carboxamide

N-(4-acetamidophenyl)piperazine-2-carboxamide (PubChem CID 63103626) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(4-acetamidophenyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)piperazine-2-carboxamide
PubChem CID63103626
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(4-acetamidophenyl)piperazine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CNCCN2)cc1
InChIInChI=1S/C13H18N4O2/c1-9(18)16-10-2-4-11(5-3-10)17-13(19)12-8-14-6-7-15-12/h2-5,12,14-15H,6-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyHGECBWISCVPVTP-UHFFFAOYSA-N
XLogP0.14
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)piperazine-2-carboxamide
CID 63103447
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(3-fluorophenyl)piperazine-2-carboxamide
CID 63103446
N-(2,4-dimethylphenyl)piperazine-2-carboxamide
CID 55178030
N-(3-sulfamoylphenyl)piperazine-2-carboxamide
CID 55177452
N-(4-hydroxyphenyl)acetamide;piperazine
CID 67107882
N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide
CID 63104160
N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide
CID 63102179
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321333
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide
CID 165474818
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)piperazine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)piperazine-2-carboxamide (CID 63103626) is N-(4-acetamidophenyl)piperazine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)piperazine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)piperazine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CNCCN2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)piperazine-2-carboxamide?
The InChIKey is HGECBWISCVPVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(18)16-10-2-4-11(5-3-10)17-13(19)12-8-14-6-7-15-12/h2-5,12,14-15H,6-8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-acetamidophenyl)piperazine-2-carboxamide?
N-(4-acetamidophenyl)piperazine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.14, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)piperazine-2-carboxamide is sourced from PubChem (CID 63103626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).