[2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

C18H21FN4O2 — CID 126431930

IUPAC[2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESNCCOc1ccc(F)cc1C(=O)N1CCC[C@@H](c2ccncn2)C1
InChIInChI=1S/C18H21FN4O2/c19-14-3-4-17(25-9-6-20)15(10-14)18(24)23-8-1-2-13(11-23)16-5-7-21-12-22-16/h3-5,7,10,12-13H,1-2,6,8-9,11,20H2/t13-/m1/s1
InChIKeyKIEFBWQEQRCVFB-CYBMUJFWSA-N
MW344.39 g/mol
LogP1.97
Rot. Bonds5

About [2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

[2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (PubChem CID 126431930) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is [2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
PubChem CID126431930
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name[2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESNCCOc1ccc(F)cc1C(=O)N1CCC[C@@H](c2ccncn2)C1
InChIInChI=1S/C18H21FN4O2/c19-14-3-4-17(25-9-6-20)15(10-14)18(24)23-8-1-2-13(11-23)16-5-7-21-12-22-16/h3-5,7,10,12-13H,1-2,6,8-9,11,20H2/t13-/m1/s1
InChIKeyKIEFBWQEQRCVFB-CYBMUJFWSA-N
XLogP1.97
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-aminoethoxy)-5-fluorophenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 166174937
[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 99994862
(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 125003943
(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125157690
acetic acid;[2-(2-aminoethoxy)-5-fluorophenyl]-(4-cyclohexyl-1,4-diazepan-1-yl)methanone
CID 154905887
(2-methoxy-3-pyridinyl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110114882
(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124942438
2-(2-methoxy-5-methylphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124956873
4-[1-[3-(2-fluorophenoxy)propyl]piperidin-3-yl]pyrimidine
CID 110114943
[2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 118775958
6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 77083127
[2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone
CID 126444298

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The IUPAC name of [2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (CID 126431930) is [2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is NCCOc1ccc(F)cc1C(=O)N1CCC[C@@H](c2ccncn2)C1.
What is the InChIKey of [2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The InChIKey is KIEFBWQEQRCVFB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-14-3-4-17(25-9-6-20)15(10-14)18(24)23-8-1-2-13(11-23)16-5-7-21-12-22-16/h3-5,7,10,12-13H,1-2,6,8-9,11,20H2/t13-/m1/s1.
What are the key properties of [2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
[2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone has a molecular weight of 344.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethoxy)-5-fluorophenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 126431930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).