N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide

C16H23N3O3 — CID 2126358

IUPACN-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
SMILESC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H23N3O3/c1-13(16(21)19-10-8-18(2)9-11-19)17-15(20)12-22-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyLXYZGDDVXFRMDT-ZDUSSCGKSA-N
MW305.38 g/mol
LogP0.34
Rot. Bonds5

About N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide

N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide (PubChem CID 2126358) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
PubChem CID2126358
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
SMILESC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H23N3O3/c1-13(16(21)19-10-8-18(2)9-11-19)17-15(20)12-22-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyLXYZGDDVXFRMDT-ZDUSSCGKSA-N
XLogP0.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 7774557
N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 37332784
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride
CID 119491118
N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 166180934
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenoxyacetamide
CID 110351364
N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide
CID 110348003
2-(4-fluorophenoxy)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94822842
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
2-(2-methoxyphenoxy)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 110347464
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide
CID 110287024
ethyl 4-[(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperazine-1-carboxylate
CID 110348517

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide (CID 2126358) is N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide is C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C)CC1.
What is the InChIKey of N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide?
The InChIKey is LXYZGDDVXFRMDT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-13(16(21)19-10-8-18(2)9-11-19)17-15(20)12-22-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide?
N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide has a molecular weight of 305.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 2126358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).