N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide

C15H18ClN3O3 — CID 113171494

IUPACN-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O3/c1-12(21)19(14-4-2-13(16)3-5-14)10-15(22)18-8-6-17(11-20)7-9-18/h2-5,11H,6-10H2,1H3
InChIKeyVANHFKDJXVSEMP-UHFFFAOYSA-N
MW323.78 g/mol
LogP0.99
Rot. Bonds4

About N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide

N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113171494) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID113171494
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O3/c1-12(21)19(14-4-2-13(16)3-5-14)10-15(22)18-8-6-17(11-20)7-9-18/h2-5,11H,6-10H2,1H3
InChIKeyVANHFKDJXVSEMP-UHFFFAOYSA-N
XLogP0.99
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113176665
N-(4-tert-butylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113170567
N-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171492
N-(2,5-dichlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113179693
N-(4-bromo-3-methylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113178156
N-(2,6-difluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113181393
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)acetamide
CID 113173316
N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113175567
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113175551
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113176972
4-[2-(4-chloroanilino)acetyl]piperazine-1-carbaldehyde
CID 108995977

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 113171494) is N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide is CC(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is VANHFKDJXVSEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-12(21)19(14-4-2-13(16)3-5-14)10-15(22)18-8-6-17(11-20)7-9-18/h2-5,11H,6-10H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide?
N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 323.78 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113171494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).