[(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone

C20H21N5O — CID 95810867

IUPAC[(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C20H21N5O/c1-15-21-11-13-25(15)19-18(22-9-10-23-19)17-8-5-12-24(14-17)20(26)16-6-3-2-4-7-16/h2-4,6-7,9-11,13,17H,5,8,12,14H2,1H3/t17-/m1/s1
InChIKeyWMUZQITUZXCQJA-QGZVFWFLSA-N
MW347.42 g/mol
LogP2.99
Rot. Bonds3

About [(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone

[(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 95810867) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
PubChem CID95810867
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C20H21N5O/c1-15-21-11-13-25(15)19-18(22-9-10-23-19)17-8-5-12-24(14-17)20(26)16-6-3-2-4-7-16/h2-4,6-7,9-11,13,17H,5,8,12,14H2,1H3/t17-/m1/s1
InChIKeyWMUZQITUZXCQJA-QGZVFWFLSA-N
XLogP2.99
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.99
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
[3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110250053
(4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95810882
2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine
CID 110250098
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95838773
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818693
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95838783
3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95810931
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 110099957
[(3S)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 124976879

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone (CID 95810867) is [(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone is Cc1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of [(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is WMUZQITUZXCQJA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N5O/c1-15-21-11-13-25(15)19-18(22-9-10-23-19)17-8-5-12-24(14-17)20(26)16-6-3-2-4-7-16/h2-4,6-7,9-11,13,17H,5,8,12,14H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?
[(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 347.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 95810867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).