2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine

C17H25N5O — CID 56862109

IUPAC2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine
SMILESCOCCN1CCC(c2nccn2Cc2cnc(C)cn2)CC1
InChIInChI=1S/C17H25N5O/c1-14-11-20-16(12-19-14)13-22-8-5-18-17(22)15-3-6-21(7-4-15)9-10-23-2/h5,8,11-12,15H,3-4,6-7,9-10,13H2,1-2H3
InChIKeyNRCOXHXCFRUPRD-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.86
Rot. Bonds6

About 2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine

2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine (PubChem CID 56862109) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine
PubChem CID56862109
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine
SMILESCOCCN1CCC(c2nccn2Cc2cnc(C)cn2)CC1
InChIInChI=1S/C17H25N5O/c1-14-11-20-16(12-19-14)13-22-8-5-18-17(22)15-3-6-21(7-4-15)9-10-23-2/h5,8,11-12,15H,3-4,6-7,9-10,13H2,1-2H3
InChIKeyNRCOXHXCFRUPRD-UHFFFAOYSA-N
XLogP1.86
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[Cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 155521458
2-[[4-[(1-Ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine
CID 71932961
2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrazine
CID 72889006
4-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine
CID 97467447
1-(2-Methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97493559
[4-[Cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide
CID 137348634
N-[(1-isopropyl-1H-imidazol-5-yl)methyl]-N-[(1'-methyl-1,4'-bipiperidin-4-yl)methyl]ethanamine
CID 72920494
2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine
CID 75500009
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
CID 77096665
9-[(1-isobutyl-1H-imidazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 91832513
2-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-9-oxa-2-azaspiro[5.5]undecane
CID 91833468
2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine
CID 95415455

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine?
The IUPAC name of 2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine (CID 56862109) is 2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine.
What is the SMILES notation for 2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine?
The canonical SMILES for 2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine is COCCN1CCC(c2nccn2Cc2cnc(C)cn2)CC1.
What is the InChIKey of 2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine?
The InChIKey is NRCOXHXCFRUPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-14-11-20-16(12-19-14)13-22-8-5-18-17(22)15-3-6-21(7-4-15)9-10-23-2/h5,8,11-12,15H,3-4,6-7,9-10,13H2,1-2H3.
What are the key properties of 2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine?
2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine has a molecular weight of 315.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2-methoxyethyl)piperidin-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine is sourced from PubChem (CID 56862109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).