ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate

C16H23FN4O3 — CID 50953683

IUPACethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(F)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H23FN4O3/c1-2-24-15(22)12-3-5-21(6-4-12)16-18-11-13(17)14(19-16)20-7-9-23-10-8-20/h11-12H,2-10H2,1H3
InChIKeyDWGHQWWXEWONGY-UHFFFAOYSA-N
MW338.38 g/mol
LogP1.23
Rot. Bonds4

About ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate

ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 50953683) has the molecular formula C16H23FN4O3 and a molecular weight of 338.38 g/mol. Its IUPAC name is ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID50953683
Molecular FormulaC16H23FN4O3
Molecular Weight338.38 g/mol
Exact Mass338.18
IUPAC Nameethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(F)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C16H23FN4O3/c1-2-24-15(22)12-3-5-21(6-4-12)16-18-11-13(17)14(19-16)20-7-9-23-10-8-20/h11-12H,2-10H2,1H3
InChIKeyDWGHQWWXEWONGY-UHFFFAOYSA-N
XLogP1.23
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
CID 56872934
Ethyl 1-{1-[4-(dimethylamino)pyrimidin-5-YL]piperidine-4-carbonyl}piperidine-4-carboxylate
CID 53165567
Ethyl 1-{2-[1-(2-methoxypyrimidin-4-YL)piperidin-4-YL]acetyl}piperidine-4-carboxylate
CID 53189246
2-{2-[4-(Methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl}-2-methylpropanoic acid
CID 72900932
2-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 50979248
1-{2-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)(methyl)amino]ethyl}piperidin-2-one
CID 50982259
5-fluoro-N,N-dimethyl-2-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]pyrimidin-4-amine
CID 72883574
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118742777
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 118743009
2-Cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 131644954
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 164640878
Ethyl 4-(4-(5-fluoro-2-pyrimidinyl)piperazin-1-yl)butanoate
CID 15729889

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate (CID 50953683) is ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncc(F)c(N3CCOCC3)n2)CC1.
What is the InChIKey of ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is DWGHQWWXEWONGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O3/c1-2-24-15(22)12-3-5-21(6-4-12)16-18-11-13(17)14(19-16)20-7-9-23-10-8-20/h11-12H,2-10H2,1H3.
What are the key properties of ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate?
ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 338.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 50953683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).