N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide

C16H22ClN3O2 — CID 51108233

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H22ClN3O2/c1-12(2)16(22)18-11-15(21)20-8-6-19(7-9-20)14-5-3-4-13(17)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,22)
InChIKeyQNLUYPOCBCMDOW-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.76
Rot. Bonds4

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide (PubChem CID 51108233) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
PubChem CID51108233
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H22ClN3O2/c1-12(2)16(22)18-11-15(21)20-8-6-19(7-9-20)14-5-3-4-13(17)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,22)
InChIKeyQNLUYPOCBCMDOW-UHFFFAOYSA-N
XLogP1.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119874775
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
3-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119874784
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 56503664
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112994503
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 56503793
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide
CID 113097807
2-(4-chlorophenyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 56548042
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
(E)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(dimethylamino)but-2-enamide
CID 166404770

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide (CID 51108233) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide is CC(C)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide?
The InChIKey is QNLUYPOCBCMDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-12(2)16(22)18-11-15(21)20-8-6-19(7-9-20)14-5-3-4-13(17)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,22).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 323.82 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 51108233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).