N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide

C18H22ClN3O4 — CID 113097802

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide
SMILESO=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)C1CCCO1
InChIInChI=1S/C18H22ClN3O4/c19-13-3-1-4-14(11-13)21-6-8-22(9-7-21)16(23)12-20-18(25)17(24)15-5-2-10-26-15/h1,3-4,11,15H,2,5-10,12H2,(H,20,25)
InChIKeyZMQPZJDQOGBRLY-UHFFFAOYSA-N
MW379.84 g/mol
LogP0.85
Rot. Bonds5

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

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide (PubChem CID 113097802) has the molecular formula C18H22ClN3O4 and a molecular weight of 379.84 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide
PubChem CID113097802
Molecular FormulaC18H22ClN3O4
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide
SMILESO=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)C1CCCO1
InChIInChI=1S/C18H22ClN3O4/c19-13-3-1-4-14(11-13)21-6-8-22(9-7-21)16(23)12-20-18(25)17(24)15-5-2-10-26-15/h1,3-4,11,15H,2,5-10,12H2,(H,20,25)
InChIKeyZMQPZJDQOGBRLY-UHFFFAOYSA-N
XLogP0.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone
CID 108994268
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide
CID 113097478
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide
CID 113097807
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799779
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119874775
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(thian-4-ylamino)ethanone
CID 119129133
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 56547977
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 56504292
1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108973265

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide (CID 113097802) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide is O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)C1CCCO1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide?
The InChIKey is ZMQPZJDQOGBRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4/c19-13-3-1-4-14(11-13)21-6-8-22(9-7-21)16(23)12-20-18(25)17(24)15-5-2-10-26-15/h1,3-4,11,15H,2,5-10,12H2,(H,20,25).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide has a molecular weight of 379.84 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 113097802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).