2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide

C17H23N3O3 — CID 108507662

IUPAC2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(NCC1CCCO1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H23N3O3/c21-16(18-13-15-7-4-12-23-15)17(22)20-10-8-19(9-11-20)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,18,21)
InChIKeyCFOFGVBZEUYBGK-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.63
Rot. Bonds3

About 2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide

2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 108507662) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID108507662
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(NCC1CCCO1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H23N3O3/c21-16(18-13-15-7-4-12-23-15)17(22)20-10-8-19(9-11-20)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,18,21)
InChIKeyCFOFGVBZEUYBGK-UHFFFAOYSA-N
XLogP0.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109045596
N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7162671
N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103915
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105582
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide
CID 111493472
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
4-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
CID 17374236
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 29104954
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 108507583
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108960037

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 108507662) is 2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide is O=C(NCC1CCCO1)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is CFOFGVBZEUYBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(18-13-15-7-4-12-23-15)17(22)20-10-8-19(9-11-20)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,18,21).
What are the key properties of 2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide?
2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108507662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).