2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine

C19H29N5O — CID 110102386

IUPAC2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCOCCN1CCCC(Cc2cnc(-c3c(C)nn(C)c3C)cn2)C1
InChIInChI=1S/C19H29N5O/c1-14-19(15(2)23(3)22-14)18-12-20-17(11-21-18)10-16-6-5-7-24(13-16)8-9-25-4/h11-12,16H,5-10,13H2,1-4H3
InChIKeySHXTVPMHQXUOTF-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.39
Rot. Bonds6

About 2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine

2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine (PubChem CID 110102386) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
PubChem CID110102386
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
SMILESCOCCN1CCCC(Cc2cnc(-c3c(C)nn(C)c3C)cn2)C1
InChIInChI=1S/C19H29N5O/c1-14-19(15(2)23(3)22-14)18-12-20-17(11-21-18)10-16-6-5-7-24(13-16)8-9-25-4/h11-12,16H,5-10,13H2,1-4H3
InChIKeySHXTVPMHQXUOTF-UHFFFAOYSA-N
XLogP2.39
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine (CID 110102386) is 2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine is COCCN1CCCC(Cc2cnc(-c3c(C)nn(C)c3C)cn2)C1.
What is the InChIKey of 2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
The InChIKey is SHXTVPMHQXUOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-14-19(15(2)23(3)22-14)18-12-20-17(11-21-18)10-16-6-5-7-24(13-16)8-9-25-4/h11-12,16H,5-10,13H2,1-4H3.
What are the key properties of 2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine?
2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine has a molecular weight of 343.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 110102386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).