methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate

C19H22N2O3 — CID 25132165

IUPACmethyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN[C@@H](C)C1=O
InChIInChI=1S/C19H22N2O3/c1-13-18(22)21(10-9-20-13)17(19(23)24-2)12-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,13,17,20H,9-10,12H2,1-2H3/t13-,17-/m0/s1
InChIKeyRMCSEEYFGLENIH-GUYCJALGSA-N
MW326.40 g/mol
LogP1.74
Rot. Bonds4

About methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate

methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate (PubChem CID 25132165) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate
PubChem CID25132165
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN[C@@H](C)C1=O
InChIInChI=1S/C19H22N2O3/c1-13-18(22)21(10-9-20-13)17(19(23)24-2)12-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,13,17,20H,9-10,12H2,1-2H3/t13-,17-/m0/s1
InChIKeyRMCSEEYFGLENIH-GUYCJALGSA-N
XLogP1.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate
CID 25132166
methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate
CID 134591477
methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
CID 154647583
2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
CID 141087632
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
2-[5-methyl-3-(2-methylpropyl)-4-(2-naphthalen-2-ylacetyl)-2-oxo-1,4-diazepan-1-yl]-3-naphthalen-2-ylpropanamide
CID 22457595
methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119325143
2-[5-methyl-3-(2-methylpropyl)-4-(2-naphthalen-2-ylacetyl)-2-oxo-1,4-diazepan-1-yl]-3-naphthalen-2-ylpropanoic acid
CID 22457599
2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-2-oxo-3-propylpiperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
CID 11756364
(2S)-2-[(3S)-4-[(2R)-2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
CID 58737071
2-[5-methyl-3-(2-methylpropyl)-2-oxo-4-(2-phenylacetyl)-1,4-diazepan-1-yl]-3-naphthalen-2-ylpropanamide
CID 75016928
(2R)-2-bromo-3-naphthalen-2-ylpropanoic acid;methane;methanol;methyl (2R)-2-bromo-3-naphthalen-2-ylpropanoate
CID 160827622

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate?
The IUPAC name of methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate (CID 25132165) is methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate is COC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN[C@@H](C)C1=O.
What is the InChIKey of methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate?
The InChIKey is RMCSEEYFGLENIH-GUYCJALGSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-18(22)21(10-9-20-13)17(19(23)24-2)12-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,13,17,20H,9-10,12H2,1-2H3/t13-,17-/m0/s1.
What are the key properties of methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate?
methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate has a molecular weight of 326.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 25132165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).