methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate

C19H27N3O4 — CID 45237645

IUPACmethyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CC1C(=O)NCCN1CCCc1ccccc1
InChIInChI=1S/C19H27N3O4/c1-21(14-18(24)26-2)17(23)13-16-19(25)20-10-12-22(16)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-14H2,1-2H3,(H,20,25)
InChIKeyAPUGCVUHHHIACZ-UHFFFAOYSA-N
MW361.44 g/mol
LogP0.44
Rot. Bonds8

About methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate

methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate (PubChem CID 45237645) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate
PubChem CID45237645
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Namemethyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CC1C(=O)NCCN1CCCc1ccccc1
InChIInChI=1S/C19H27N3O4/c1-21(14-18(24)26-2)17(23)13-16-19(25)20-10-12-22(16)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-14H2,1-2H3,(H,20,25)
InChIKeyAPUGCVUHHHIACZ-UHFFFAOYSA-N
XLogP0.44
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
CID 34534079
N-ethyl-N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95723897
N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-(2-phenylethyl)acetamide
CID 26321988
N-methyl-N-(2-methylpropyl)-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95727903
N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95711244
N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide
CID 56888360
methyl 2-[[2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]-methylamino]acetate
CID 45242481
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95707080
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95717455
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95729853
N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 45177677
N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 45197561

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate (CID 45237645) is methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate is COC(=O)CN(C)C(=O)CC1C(=O)NCCN1CCCc1ccccc1.
What is the InChIKey of methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate?
The InChIKey is APUGCVUHHHIACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-21(14-18(24)26-2)17(23)13-16-19(25)20-10-12-22(16)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-14H2,1-2H3,(H,20,25).
What are the key properties of methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate?
methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate has a molecular weight of 361.44 g/mol, XLogP of 0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate is sourced from PubChem (CID 45237645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).