N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide

C17H24N4O3 — CID 110862537

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
SMILESCN1CCN(c2ccc(NC(=O)CN3CCCOC3=O)cc2)CC1
InChIInChI=1S/C17H24N4O3/c1-19-8-10-20(11-9-19)15-5-3-14(4-6-15)18-16(22)13-21-7-2-12-24-17(21)23/h3-6H,2,7-13H2,1H3,(H,18,22)
InChIKeyDHNOQCOHTHXOSF-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.22
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide (PubChem CID 110862537) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
PubChem CID110862537
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
SMILESCN1CCN(c2ccc(NC(=O)CN3CCCOC3=O)cc2)CC1
InChIInChI=1S/C17H24N4O3/c1-19-8-10-20(11-9-19)15-5-3-14(4-6-15)18-16(22)13-21-7-2-12-24-17(21)23/h3-6H,2,7-13H2,1H3,(H,18,22)
InChIKeyDHNOQCOHTHXOSF-UHFFFAOYSA-N
XLogP1.22
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
CID 110863119
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39058913
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006520
N-(2-morpholin-4-ylphenyl)-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
CID 110862426
2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006402
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 22692234
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
ethyl 4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzoate
CID 110686650
2-(2-oxo-1,3-oxazinan-3-yl)acetohydrazide
CID 130710751

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide (CID 110862537) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide is CN1CCN(c2ccc(NC(=O)CN3CCCOC3=O)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?
The InChIKey is DHNOQCOHTHXOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-19-8-10-20(11-9-19)15-5-3-14(4-6-15)18-16(22)13-21-7-2-12-24-17(21)23/h3-6H,2,7-13H2,1H3,(H,18,22).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide is sourced from PubChem (CID 110862537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).