2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine

C18H25N5 — CID 110110158

IUPAC2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine
SMILESCn1cncc1-c1nccnc1C1CCCN(C2CCCC2)C1
InChIInChI=1S/C18H25N5/c1-22-13-19-11-16(22)18-17(20-8-9-21-18)14-5-4-10-23(12-14)15-6-2-3-7-15/h8-9,11,13-15H,2-7,10,12H2,1H3
InChIKeyMGDONDHTPIHUDE-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.00
Rot. Bonds3

About 2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine

2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine (PubChem CID 110110158) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine
PubChem CID110110158
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine
SMILESCn1cncc1-c1nccnc1C1CCCN(C2CCCC2)C1
InChIInChI=1S/C18H25N5/c1-22-13-19-11-16(22)18-17(20-8-9-21-18)14-5-4-10-23(12-14)15-6-2-3-7-15/h8-9,11,13-15H,2-7,10,12H2,1H3
InChIKeyMGDONDHTPIHUDE-UHFFFAOYSA-N
XLogP3.00
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine
CID 110254777
2-[(3S)-1-cyclopentylpiperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 95818569
2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
CID 75615616
[4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110110841
2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine
CID 124949567
1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 95819344
2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124981007
2-(3-methylimidazol-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]pyrazine
CID 110131808
2-(2-methylpyrazol-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)pyrazine
CID 110101538
2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine
CID 110102174
1-[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110131823
1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124964605

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine?
The IUPAC name of 2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine (CID 110110158) is 2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine.
What is the SMILES notation for 2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine?
The canonical SMILES for 2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine is Cn1cncc1-c1nccnc1C1CCCN(C2CCCC2)C1.
What is the InChIKey of 2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine?
The InChIKey is MGDONDHTPIHUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-22-13-19-11-16(22)18-17(20-8-9-21-18)14-5-4-10-23(12-14)15-6-2-3-7-15/h8-9,11,13-15H,2-7,10,12H2,1H3.
What are the key properties of 2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine?
2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine has a molecular weight of 311.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpiperidin-3-yl)-3-(3-methylimidazol-4-yl)pyrazine is sourced from PubChem (CID 110110158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).