N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide

C19H29N3O3 — CID 95727195

IUPACN-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
SMILESCOC(C)(C)CNC(=O)C[C@H]1C(=O)NCCN1CCc1ccccc1
InChIInChI=1S/C19H29N3O3/c1-19(2,25-3)14-21-17(23)13-16-18(24)20-10-12-22(16)11-9-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,20,24)(H,21,23)/t16-/m0/s1
InChIKeyZKEQWBVURXMYSF-INIZCTEOSA-N
MW347.46 g/mol
LogP0.96
Rot. Bonds8

About N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide

N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide (PubChem CID 95727195) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
PubChem CID95727195
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
SMILESCOC(C)(C)CNC(=O)C[C@H]1C(=O)NCCN1CCc1ccccc1
InChIInChI=1S/C19H29N3O3/c1-19(2,25-3)14-21-17(23)13-16-18(24)20-10-12-22(16)11-9-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,20,24)(H,21,23)/t16-/m0/s1
InChIKeyZKEQWBVURXMYSF-INIZCTEOSA-N
XLogP0.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide 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

methyl 4-[[[2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetyl]amino]methyl]benzoate
CID 45205001
N-(2-methylbutan-2-yl)-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 56915595
N-(2-methylsulfanylethyl)-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 26398297
N-[1-(methoxymethyl)cyclopentyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 56911904
N-cyclopentyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 45180827
methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
CID 34534079
2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42198802
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95729853
2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide
CID 56912365
N-[(1-hydroxycyclohexyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 45237223
N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 45177677
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95717455

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide (CID 95727195) is N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide is COC(C)(C)CNC(=O)C[C@H]1C(=O)NCCN1CCc1ccccc1.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
The InChIKey is ZKEQWBVURXMYSF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(2,25-3)14-21-17(23)13-16-18(24)20-10-12-22(16)11-9-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,20,24)(H,21,23)/t16-/m0/s1.
What are the key properties of N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide?
N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 95727195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).