2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine

C22H27N5 — CID 110250098

IUPAC2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine
SMILESCc1nccn1-c1nccnc1C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C22H27N5/c1-18-23-13-16-27(18)22-21(24-11-12-25-22)20-10-6-15-26(17-20)14-5-9-19-7-3-2-4-8-19/h2-4,7-8,11-13,16,20H,5-6,9-10,14-15,17H2,1H3
InChIKeyDBUNONFUUDPDFZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.78
Rot. Bonds6

About 2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine

2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine (PubChem CID 110250098) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine
PubChem CID110250098
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine
SMILESCc1nccn1-c1nccnc1C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C22H27N5/c1-18-23-13-16-27(18)22-21(24-11-12-25-22)20-10-6-15-26(17-20)14-5-9-19-7-3-2-4-8-19/h2-4,7-8,11-13,16,20H,5-6,9-10,14-15,17H2,1H3
InChIKeyDBUNONFUUDPDFZ-UHFFFAOYSA-N
XLogP3.78
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95810928
2-(2-methylimidazol-1-yl)-6-[1-(2-phenylethyl)piperidin-3-yl]pyridine
CID 110266022
[(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95810867
3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95810931
3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-(2-phenylethyl)piperidine
CID 72924066
3-[1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 110234027
3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 95853476
2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 110250066
1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 95853481
1-methyl-3-[1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 110234032
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine
CID 95819483

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine?
The IUPAC name of 2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine (CID 110250098) is 2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine is Cc1nccn1-c1nccnc1C1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine?
The InChIKey is DBUNONFUUDPDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-18-23-13-16-27(18)22-21(24-11-12-25-22)20-10-6-15-26(17-20)14-5-9-19-7-3-2-4-8-19/h2-4,7-8,11-13,16,20H,5-6,9-10,14-15,17H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine?
2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine has a molecular weight of 361.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine is sourced from PubChem (CID 110250098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).