ethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate

C19H27NO4 — CID 11186640

IUPACethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate
SMILESCCOC(=O)[C@](C)(OCc1ccccc1)[C@@H]1CCCCN1C(C)=O
InChIInChI=1S/C19H27NO4/c1-4-23-18(22)19(3,24-14-16-10-6-5-7-11-16)17-12-8-9-13-20(17)15(2)21/h5-7,10-11,17H,4,8-9,12-14H2,1-3H3/t17-,19+/m0/s1
InChIKeyMOZFOUJUXQYGPH-PKOBYXMFSA-N
MW333.43 g/mol
LogP2.93
Rot. Bonds6

About ethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate

ethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate (PubChem CID 11186640) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate
PubChem CID11186640
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Nameethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate
SMILESCCOC(=O)[C@](C)(OCc1ccccc1)[C@@H]1CCCCN1C(C)=O
InChIInChI=1S/C19H27NO4/c1-4-23-18(22)19(3,24-14-16-10-6-5-7-11-16)17-12-8-9-13-20(17)15(2)21/h5-7,10-11,17H,4,8-9,12-14H2,1-3H3/t17-,19+/m0/s1
InChIKeyMOZFOUJUXQYGPH-PKOBYXMFSA-N
XLogP2.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-phenylmethoxypropanoate
CID 18454908
ethyl 2-phenylmethoxyazepane-1-carboxylate
CID 141418493
benzyl 2-(trifluoromethyl)azepane-1-carboxylate
CID 72545628
benzyl 2-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylate
CID 135014037
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
benzyl (2R)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 10925168
1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153
2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 58030139
benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate
CID 57325282
benzyl 2-[[(2-aminoacetyl)-methylamino]methyl]piperidine-1-carboxylate
CID 66564799
benzyl (2S,3S)-3-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 125117167

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate?
The IUPAC name of ethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate (CID 11186640) is ethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate.
What is the SMILES notation for ethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate?
The canonical SMILES for ethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate is CCOC(=O)[C@](C)(OCc1ccccc1)[C@@H]1CCCCN1C(C)=O.
What is the InChIKey of ethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate?
The InChIKey is MOZFOUJUXQYGPH-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H27NO4/c1-4-23-18(22)19(3,24-14-16-10-6-5-7-11-16)17-12-8-9-13-20(17)15(2)21/h5-7,10-11,17H,4,8-9,12-14H2,1-3H3/t17-,19+/m0/s1.
What are the key properties of ethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate?
ethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate has a molecular weight of 333.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate is sourced from PubChem (CID 11186640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).