2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine

C20H23N5O2 — CID 125003830

IUPAC2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine
SMILESCOc1ccccc1Oc1nccnc1[C@H]1CCCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C20H23N5O2/c1-26-17-6-2-3-7-18(17)27-20-19(21-10-11-22-20)15-5-4-12-25(13-15)14-16-8-9-23-24-16/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeySUEVCCOQFGYMQN-HNNXBMFYSA-N
MW365.44 g/mol
LogP3.38
Rot. Bonds6

About 2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine

2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine (PubChem CID 125003830) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine
PubChem CID125003830
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine
SMILESCOc1ccccc1Oc1nccnc1[C@H]1CCCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C20H23N5O2/c1-26-17-6-2-3-7-18(17)27-20-19(21-10-11-22-20)15-5-4-12-25(13-15)14-16-8-9-23-24-16/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeySUEVCCOQFGYMQN-HNNXBMFYSA-N
XLogP3.38
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821902
2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 95843459
2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823252
2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine
CID 110256586
4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 124969653
3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 45248311
2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine
CID 95819239
2-chloro-1-[3-[3-(2-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175658243
3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 122139214
4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide
CID 95822106
2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823499
[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 125008764

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine?
The IUPAC name of 2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine (CID 125003830) is 2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine?
The canonical SMILES for 2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine is COc1ccccc1Oc1nccnc1[C@H]1CCCN(Cc2ccn[nH]2)C1.
What is the InChIKey of 2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine?
The InChIKey is SUEVCCOQFGYMQN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-26-17-6-2-3-7-18(17)27-20-19(21-10-11-22-20)15-5-4-12-25(13-15)14-16-8-9-23-24-16/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,23,24)/t15-/m0/s1.
What are the key properties of 2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine?
2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine has a molecular weight of 365.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine is sourced from PubChem (CID 125003830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).