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

C16H22N2O3 — CID 34534079

IUPACmethyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-21-15(19)12-14-16(20)17-9-11-18(14)10-5-8-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,20)/t14-/m1/s1
InChIKeyKUCOYOFACKFBKD-CQSZACIVSA-N
MW290.36 g/mol
LogP0.98
Rot. Bonds6

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

methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate (PubChem CID 34534079) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
PubChem CID34534079
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-21-15(19)12-14-16(20)17-9-11-18(14)10-5-8-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,20)/t14-/m1/s1
InChIKeyKUCOYOFACKFBKD-CQSZACIVSA-N
XLogP0.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methyl-[2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetyl]amino]acetate
CID 45237645
N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95711244
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-(1-hydroxy-2-methylpropan-2-yl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95729853
N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide
CID 56888360
methyl 2-[(2S)-1-[2-(benzylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560174
N-methyl-N-(2-methylpropyl)-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95727903
N-(oxan-4-ylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 45177677
methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate
CID 43886925
N-[(1-hydroxycyclohexyl)methyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 45237223
N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 42245676

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate (CID 34534079) is methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate is COC(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1.
What is the InChIKey of methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate?
The InChIKey is KUCOYOFACKFBKD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-15(19)12-14-16(20)17-9-11-18(14)10-5-8-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,20)/t14-/m1/s1.
What are the key properties of methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate?
methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate has a molecular weight of 290.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate is sourced from PubChem (CID 34534079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).