methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate

C16H21FN2O3 — CID 95899793

IUPACmethyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate
SMILESCOC(=O)[C@H](c1ccccc1F)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C16H21FN2O3/c1-22-16(21)15(12-4-2-3-5-13(12)17)19-8-6-11(7-9-19)10-14(18)20/h2-5,11,15H,6-10H2,1H3,(H2,18,20)/t15-/m0/s1
InChIKeyFQIWBMCGNVZAEJ-HNNXBMFYSA-N
MW308.35 g/mol
LogP1.63
Rot. Bonds5

About methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate

methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate (PubChem CID 95899793) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate
PubChem CID95899793
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Namemethyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate
SMILESCOC(=O)[C@H](c1ccccc1F)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C16H21FN2O3/c1-22-16(21)15(12-4-2-3-5-13(12)17)19-8-6-11(7-9-19)10-14(18)20/h2-5,11,15H,6-10H2,1H3,(H2,18,20)/t15-/m0/s1
InChIKeyFQIWBMCGNVZAEJ-HNNXBMFYSA-N
XLogP1.63
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(2-fluorophenyl)-2-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]acetate
CID 99847607
2-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110892661
methyl 2-(2-fluorophenyl)-2-[4-(methylsulfamoylamino)piperidin-1-yl]acetate
CID 119050825
1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(sulfanylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 18703832
methyl (2S)-2-(2-fluorophenyl)-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetate
CID 97101368
2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 60503854
2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide
CID 115995958
methyl 2-(2-chlorophenyl)-2-(4-sulfanylpiperidin-1-yl)acetate;hydrochloride
CID 23000853
(2Z)-2-[4-(2-aminoethyldisulfanyl)-1-[1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]piperidin-3-ylidene]acetic acid
CID 118565531
methyl 2-[[4-(2-amino-2-oxoethyl)piperidin-1-yl]methyl]benzoate
CID 82957081
methyl 2-(2-bromophenyl)-2-pyrrolidin-1-ylacetate
CID 116860558
2-[1-(2-carbamothioyl-3-fluorophenyl)piperidin-4-yl]acetamide
CID 79512494

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate?
The IUPAC name of methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate (CID 95899793) is methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate.
What is the SMILES notation for methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate?
The canonical SMILES for methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate is COC(=O)[C@H](c1ccccc1F)N1CCC(CC(N)=O)CC1.
What is the InChIKey of methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate?
The InChIKey is FQIWBMCGNVZAEJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-22-16(21)15(12-4-2-3-5-13(12)17)19-8-6-11(7-9-19)10-14(18)20/h2-5,11,15H,6-10H2,1H3,(H2,18,20)/t15-/m0/s1.
What are the key properties of methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate?
methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate has a molecular weight of 308.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-(2-fluorophenyl)acetate is sourced from PubChem (CID 95899793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).