methyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate

C18H22N2O4 — CID 125137287

IUPACmethyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(C)O[C@@H](CN2CCNC(=O)[C@@H]2c2ccccc2)C1
InChIInChI=1S/C18H22N2O4/c1-12-15(18(22)23-2)10-14(24-12)11-20-9-8-19-17(21)16(20)13-6-4-3-5-7-13/h3-7,14,16H,8-11H2,1-2H3,(H,19,21)/t14-,16+/m1/s1
InChIKeySYAJHRVDEWVARR-ZBFHGGJFSA-N
MW330.38 g/mol
LogP1.40
Rot. Bonds4

About methyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate

methyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate (PubChem CID 125137287) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is methyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate
PubChem CID125137287
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namemethyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(C)O[C@@H](CN2CCNC(=O)[C@@H]2c2ccccc2)C1
InChIInChI=1S/C18H22N2O4/c1-12-15(18(22)23-2)10-14(24-12)11-20-9-8-19-17(21)16(20)13-6-4-3-5-7-13/h3-7,14,16H,8-11H2,1-2H3,(H,19,21)/t14-,16+/m1/s1
InChIKeySYAJHRVDEWVARR-ZBFHGGJFSA-N
XLogP1.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate with MolForge

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Related Compounds

methyl (2R)-2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 125135891
(3S)-4-methyl-3-phenylpiperazin-2-one
CID 86327207
5-[[2-(3-methylphenyl)-3-oxopiperazin-1-yl]methyl]thiophene-2-carboxylic acid
CID 154743058
methyl 3-methyl-5-[[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate
CID 52504682
2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 122137345
4-[(7-methyl-2-oxochromen-4-yl)methyl]-3-phenylpiperazin-2-one
CID 122137341
methyl 3-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]propanoate
CID 97062578
4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one
CID 21292130
methyl (3R)-3-benzyl-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate
CID 135006357
4-[2-(benzenesulfonyl)ethyl]-3-phenylpiperazin-2-one
CID 122137342
N-(4-methoxycyclohexyl)-3-oxo-2-phenylpiperazine-1-carboxamide
CID 128696475
4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one
CID 110644585

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate (CID 125137287) is methyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate is COC(=O)C1=C(C)O[C@@H](CN2CCNC(=O)[C@@H]2c2ccccc2)C1.
What is the InChIKey of methyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate?
The InChIKey is SYAJHRVDEWVARR-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-15(18(22)23-2)10-14(24-12)11-20-9-8-19-17(21)16(20)13-6-4-3-5-7-13/h3-7,14,16H,8-11H2,1-2H3,(H,19,21)/t14-,16+/m1/s1.
What are the key properties of methyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate?
methyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-5-methyl-2-[[(2S)-3-oxo-2-phenylpiperazin-1-yl]methyl]-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 125137287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).