ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate

C19H21FN2O3 — CID 70729052

IUPACethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C19H21FN2O3/c1-2-25-17(23)12-14-7-3-4-11-22(14)19(24)16-10-9-13-6-5-8-15(20)18(13)21-16/h5-6,8-10,14H,2-4,7,11-12H2,1H3
InChIKeyYYBMHBOPDZFGAT-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.32
Rot. Bonds4

About ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate

ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate (PubChem CID 70729052) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate
PubChem CID70729052
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Nameethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C19H21FN2O3/c1-2-25-17(23)12-14-7-3-4-11-22(14)19(24)16-10-9-13-6-5-8-15(20)18(13)21-16/h5-6,8-10,14H,2-4,7,11-12H2,1H3
InChIKeyYYBMHBOPDZFGAT-UHFFFAOYSA-N
XLogP3.32
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2S)-1-[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 42195750
ethyl 2-[(2R)-1-[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 42195751
(8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 50963476
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
1-[3-ethyl-4-(8-fluoroquinoline-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 172887326
ethyl 2-[(2S)-1-[2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carbonyl]piperidin-2-yl]acetate
CID 42594899
ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 45185476
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate
CID 61009407
ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate
CID 70735433
methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 81499432
ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate
CID 42297998

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate (CID 70729052) is ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1C(=O)c1ccc2cccc(F)c2n1.
What is the InChIKey of ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate?
The InChIKey is YYBMHBOPDZFGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-2-25-17(23)12-14-7-3-4-11-22(14)19(24)16-10-9-13-6-5-8-15(20)18(13)21-16/h5-6,8-10,14H,2-4,7,11-12H2,1H3.
What are the key properties of ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate?
ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate has a molecular weight of 344.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(8-fluoroquinoline-2-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 70729052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).