[(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate

C15H20N2O3 — CID 174582401

IUPAC[(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate
SMILESCCC(=O)ON1C(=O)[C@@H](C)N(C)CC1c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-4-14(18)20-17-13(12-8-6-5-7-9-12)10-16(3)11(2)15(17)19/h5-9,11,13H,4,10H2,1-3H3/t11-,13?/m1/s1
InChIKeyNAGUESRMLWILBL-JTDNENJMSA-N
MW276.34 g/mol
LogP1.76
Rot. Bonds3

About [(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate

[(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate (PubChem CID 174582401) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate.

Molecular Properties

Compound Name[(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate
PubChem CID174582401
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate
SMILESCCC(=O)ON1C(=O)[C@@H](C)N(C)CC1c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-4-14(18)20-17-13(12-8-6-5-7-9-12)10-16(3)11(2)15(17)19/h5-9,11,13H,4,10H2,1-3H3/t11-,13?/m1/s1
InChIKeyNAGUESRMLWILBL-JTDNENJMSA-N
XLogP1.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(2-phenylaziridin-1-yl)butan-2-one
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tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate
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2-[(2S,5R)-4,5-dimethyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
CID 169115432
(4R)-1-(2-methoxyethyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
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methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
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CID 53230801
CID 53230801
(3aR,7aR)-2-[[(2R)-4-methyl-2-phenylpiperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
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[(2R,3S,5R)-5-tert-butyl-1,2-dimethyl-3-phenylpiperidin-3-yl] propanoate
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Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate?
The IUPAC name of [(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate (CID 174582401) is [(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate.
What is the SMILES notation for [(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate?
The canonical SMILES for [(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate is CCC(=O)ON1C(=O)[C@@H](C)N(C)CC1c1ccccc1.
What is the InChIKey of [(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate?
The InChIKey is NAGUESRMLWILBL-JTDNENJMSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-14(18)20-17-13(12-8-6-5-7-9-12)10-16(3)11(2)15(17)19/h5-9,11,13H,4,10H2,1-3H3/t11-,13?/m1/s1.
What are the key properties of [(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate?
[(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate has a molecular weight of 276.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-dimethyl-2-oxo-6-phenylpiperazin-1-yl] propanoate is sourced from PubChem (CID 174582401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).