[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone

C16H19N5O2 — CID 122268128

IUPAC[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCCc1cnc(OC2CCCN(C(=O)c3cnccn3)C2)nc1
InChIInChI=1S/C16H19N5O2/c1-2-12-8-19-16(20-9-12)23-13-4-3-7-21(11-13)15(22)14-10-17-5-6-18-14/h5-6,8-10,13H,2-4,7,11H2,1H3
InChIKeyBKIFIEPGZFZSBD-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.51
Rot. Bonds4

About [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone

[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 122268128) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID122268128
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCCc1cnc(OC2CCCN(C(=O)c3cnccn3)C2)nc1
InChIInChI=1S/C16H19N5O2/c1-2-12-8-19-16(20-9-12)23-13-4-3-7-21(11-13)15(22)14-10-17-5-6-18-14/h5-6,8-10,13H,2-4,7,11H2,1H3
InChIKeyBKIFIEPGZFZSBD-UHFFFAOYSA-N
XLogP1.51
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone
CID 122268269
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 122268274
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinolin-2-ylmethanone
CID 122267966
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122268155
(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268032
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-phenylphenyl)methanone
CID 122268048
N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268290
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone
CID 122268002
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268109
(3,4-dimethoxyphenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268015
3-(5-ethylpyrimidin-2-yl)oxy-N-pentan-3-ylpiperidine-1-carboxamide
CID 122268315
4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one
CID 122268218

Frequently Asked Questions

What is the IUPAC name of [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone (CID 122268128) is [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone is CCc1cnc(OC2CCCN(C(=O)c3cnccn3)C2)nc1.
What is the InChIKey of [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is BKIFIEPGZFZSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-2-12-8-19-16(20-9-12)23-13-4-3-7-21(11-13)15(22)14-10-17-5-6-18-14/h5-6,8-10,13H,2-4,7,11H2,1H3.
What are the key properties of [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 313.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 122268128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).