N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide

C19H27N3O3 — CID 110605644

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)CC3CCCCO3)cc2)CC1
InChIInChI=1S/C19H27N3O3/c1-15(23)21-9-11-22(12-10-21)17-7-5-16(6-8-17)20-19(24)14-18-4-2-3-13-25-18/h5-8,18H,2-4,9-14H2,1H3,(H,20,24)
InChIKeyLLRLHWQZRNNBHL-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.25
Rot. Bonds4

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide (PubChem CID 110605644) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
PubChem CID110605644
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)CC3CCCCO3)cc2)CC1
InChIInChI=1S/C19H27N3O3/c1-15(23)21-9-11-22(12-10-21)17-7-5-16(6-8-17)20-19(24)14-18-4-2-3-13-25-18/h5-8,18H,2-4,9-14H2,1H3,(H,20,24)
InChIKeyLLRLHWQZRNNBHL-UHFFFAOYSA-N
XLogP2.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110627164
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621036
N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621086
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696651
N-(3-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613011
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994306
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
2-methyl-2-[4-[[2-(oxan-2-yl)acetyl]amino]phenyl]propanoic acid
CID 120688056
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide (CID 110605644) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide is CC(=O)N1CCN(c2ccc(NC(=O)CC3CCCCO3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide?
The InChIKey is LLRLHWQZRNNBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15(23)21-9-11-22(12-10-21)17-7-5-16(6-8-17)20-19(24)14-18-4-2-3-13-25-18/h5-8,18H,2-4,9-14H2,1H3,(H,20,24).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 110605644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).