4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid

C14H18N2O4 — CID 22353154

IUPAC4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
SMILESCOC(=O)C(c1ccccc1)N1CCN(C(=O)O)CC1
InChIInChI=1S/C14H18N2O4/c1-20-13(17)12(11-5-3-2-4-6-11)15-7-9-16(10-8-15)14(18)19/h2-6,12H,7-10H2,1H3,(H,18,19)
InChIKeyALEJRQHKSLPTSD-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.20
Rot. Bonds3

About 4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid

4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid (PubChem CID 22353154) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
PubChem CID22353154
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
SMILESCOC(=O)C(c1ccccc1)N1CCN(C(=O)O)CC1
InChIInChI=1S/C14H18N2O4/c1-20-13(17)12(11-5-3-2-4-6-11)15-7-9-16(10-8-15)14(18)19/h2-6,12H,7-10H2,1H3,(H,18,19)
InChIKeyALEJRQHKSLPTSD-UHFFFAOYSA-N
XLogP1.20
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate
CID 95335169
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
methyl 2-(1,1-dioxothiazetidin-2-yl)-2-phenylacetate
CID 101164706
methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate
CID 146045375
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
methyl (2S)-2-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 31540480
methyl 2-[4-[4-(butanoylamino)phenyl]piperazin-1-yl]-2-phenylacetate
CID 16666781
methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate
CID 46431394
methyl (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate
CID 59101625
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid (CID 22353154) is 4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid is COC(=O)C(c1ccccc1)N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid?
The InChIKey is ALEJRQHKSLPTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-13(17)12(11-5-3-2-4-6-11)15-7-9-16(10-8-15)14(18)19/h2-6,12H,7-10H2,1H3,(H,18,19).
What are the key properties of 4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid?
4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 22353154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).