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

C22H27N3O3 — CID 37332784

IUPACN-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
SMILESC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C)C[C@@H]1c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-17(23-21(26)16-28-19-11-7-4-8-12-19)22(27)25-14-13-24(2)15-20(25)18-9-5-3-6-10-18/h3-12,17,20H,13-16H2,1-2H3,(H,23,26)/t17-,20+/m0/s1
InChIKeyMCEZUROIJDUPMM-FXAWDEMLSA-N
MW381.48 g/mol
LogP2.09
Rot. Bonds6

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

N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide (PubChem CID 37332784) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
PubChem CID37332784
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
SMILESC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C)C[C@@H]1c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-17(23-21(26)16-28-19-11-7-4-8-12-19)22(27)25-14-13-24(2)15-20(25)18-9-5-3-6-10-18/h3-12,17,20H,13-16H2,1-2H3,(H,23,26)/t17-,20+/m0/s1
InChIKeyMCEZUROIJDUPMM-FXAWDEMLSA-N
XLogP2.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 2126358
2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 112685654
4-bromo-N-[(2S)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 129376775
N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide
CID 120732203
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
(E)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]prop-2-enamide
CID 30665525
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
CID 55394267
(2S)-2-(4-methoxyphenoxy)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 51929991
2-bromo-1-(4-methyl-2-phenylpiperazin-1-yl)butan-1-one
CID 62856286
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride
CID 119491118

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide (CID 37332784) is N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide is C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C)C[C@@H]1c1ccccc1.
What is the InChIKey of N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide?
The InChIKey is MCEZUROIJDUPMM-FXAWDEMLSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17(23-21(26)16-28-19-11-7-4-8-12-19)22(27)25-14-13-24(2)15-20(25)18-9-5-3-6-10-18/h3-12,17,20H,13-16H2,1-2H3,(H,23,26)/t17-,20+/m0/s1.
What are the key properties of N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide?
N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide has a molecular weight of 381.48 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 37332784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).