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

C19H25N3O4 — CID 113097478

IUPACN-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide
SMILESCc1ccccc1N1CCN(C(=O)CNC(=O)C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H25N3O4/c1-14-5-2-3-6-15(14)21-8-10-22(11-9-21)17(23)13-20-19(25)18(24)16-7-4-12-26-16/h2-3,5-6,16H,4,7-13H2,1H3,(H,20,25)
InChIKeyJZPFGPOLFUONIO-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.51
Rot. Bonds5

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

N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide (PubChem CID 113097478) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide
PubChem CID113097478
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide
SMILESCc1ccccc1N1CCN(C(=O)CNC(=O)C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H25N3O4/c1-14-5-2-3-6-15(14)21-8-10-22(11-9-21)17(23)13-20-19(25)18(24)16-7-4-12-26-16/h2-3,5-6,16H,4,7-13H2,1H3,(H,20,25)
InChIKeyJZPFGPOLFUONIO-UHFFFAOYSA-N
XLogP0.51
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.51
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

2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide
CID 113097513
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide
CID 113097802
ethyl 2-[[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoacetate
CID 113097511
2-(cyclopropylmethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 61254430
1-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 97128511
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide
CID 113097881
(2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95100125
3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18111092
4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 18129548
N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 110807089
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 38021617

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide (CID 113097478) is N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide is Cc1ccccc1N1CCN(C(=O)CNC(=O)C(=O)C2CCCO2)CC1.
What is the InChIKey of N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide?
The InChIKey is JZPFGPOLFUONIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-14-5-2-3-6-15(14)21-8-10-22(11-9-21)17(23)13-20-19(25)18(24)16-7-4-12-26-16/h2-3,5-6,16H,4,7-13H2,1H3,(H,20,25).
What are the key properties of N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide?
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide has a molecular weight of 359.43 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 113097478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).