N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C18H26ClN3O2 — CID 113166120

IUPACN-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(C)(C)C
InChIInChI=1S/C18H26ClN3O2/c1-14(23)22(18(2,3)4)13-17(24)21-10-8-20(9-11-21)16-7-5-6-15(19)12-16/h5-7,12H,8-11,13H2,1-4H3
InChIKeyPZSOAEOAJOBSDI-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.64
Rot. Bonds3

About N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide

N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 113166120) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID113166120
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(C)(C)C
InChIInChI=1S/C18H26ClN3O2/c1-14(23)22(18(2,3)4)13-17(24)21-10-8-20(9-11-21)16-7-5-6-15(19)12-16/h5-7,12H,8-11,13H2,1-4H3
InChIKeyPZSOAEOAJOBSDI-UHFFFAOYSA-N
XLogP2.64
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 113159858
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464624
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(N-ethyl-3-methylanilino)ethanone
CID 109004395
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115179
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
N-[2-(3-chlorophenyl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113166895
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113115975
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone
CID 109004339

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 113166120) is N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide is CC(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is PZSOAEOAJOBSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-14(23)22(18(2,3)4)13-17(24)21-10-8-20(9-11-21)16-7-5-6-15(19)12-16/h5-7,12H,8-11,13H2,1-4H3.
What are the key properties of N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 351.88 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 113166120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).