(2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate

C21H24FN3O3 — CID 58032759

IUPAC(2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate
SMILESNC(=O)COC(=O)CCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C21H24FN3O3/c22-18-5-2-16(3-6-18)17-4-7-20(24-13-17)25-11-9-15(10-12-25)1-8-21(27)28-14-19(23)26/h2-7,13,15H,1,8-12,14H2,(H2,23,26)
InChIKeyNJSVWSJSEBZCPG-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.91
Rot. Bonds7

About (2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate

(2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate (PubChem CID 58032759) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate
PubChem CID58032759
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name(2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate
SMILESNC(=O)COC(=O)CCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C21H24FN3O3/c22-18-5-2-16(3-6-18)17-4-7-20(24-13-17)25-11-9-15(10-12-25)1-8-21(27)28-14-19(23)26/h2-7,13,15H,1,8-12,14H2,(H2,23,26)
InChIKeyNJSVWSJSEBZCPG-UHFFFAOYSA-N
XLogP2.91
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 68574069
(2-amino-2-oxoethyl) 3-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]propanoate
CID 58032724
1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 44623659
(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate
CID 58032791
(2-amino-2-oxoethyl) 4-(1-pyrazin-2-ylpiperidin-4-yl)butanoate
CID 58032790
(2-amino-2-oxoethyl) 3-[1-(4-phenylpyrimidin-2-yl)piperidin-4-yl]propanoate
CID 58032701
(2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
CID 68573795
(2-amino-2-oxoethyl) 4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]butanoate
CID 58032757
(2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 68573821
(2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 68574049
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl 3-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]propanoate
CID 58574942
(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate
CID 58032803

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate?
The IUPAC name of (2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate (CID 58032759) is (2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate?
The canonical SMILES for (2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate is NC(=O)COC(=O)CCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate?
The InChIKey is NJSVWSJSEBZCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-18-5-2-16(3-6-18)17-4-7-20(24-13-17)25-11-9-15(10-12-25)1-8-21(27)28-14-19(23)26/h2-7,13,15H,1,8-12,14H2,(H2,23,26).
What are the key properties of (2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate?
(2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate has a molecular weight of 385.44 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate is sourced from PubChem (CID 58032759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).