2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine

C22H27N5 — CID 95819373

IUPAC2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine
SMILESCCn1ccnc1CN1CCC[C@H](c2nccnc2-c2cccc(C)c2)C1
InChIInChI=1S/C22H27N5/c1-3-27-13-11-23-20(27)16-26-12-5-8-19(15-26)22-21(24-9-10-25-22)18-7-4-6-17(2)14-18/h4,6-7,9-11,13-14,19H,3,5,8,12,15-16H2,1-2H3/t19-/m0/s1
InChIKeyURPQEGSUVFZHJT-IBGZPJMESA-N
MW361.49 g/mol
LogP4.05
Rot. Bonds5

About 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine

2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine (PubChem CID 95819373) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine.

Molecular Properties

Compound Name2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine
PubChem CID95819373
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine
SMILESCCn1ccnc1CN1CCC[C@H](c2nccnc2-c2cccc(C)c2)C1
InChIInChI=1S/C22H27N5/c1-3-27-13-11-23-20(27)16-26-12-5-8-19(15-26)22-21(24-9-10-25-22)18-7-4-6-17(2)14-18/h4,6-7,9-11,13-14,19H,3,5,8,12,15-16H2,1-2H3/t19-/m0/s1
InChIKeyURPQEGSUVFZHJT-IBGZPJMESA-N
XLogP4.05
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 95810615
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249834
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine
CID 95810617
cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819177
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 110254922
1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819217
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
CID 62735695
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110255017

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine?
The IUPAC name of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine (CID 95819373) is 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine.
What is the SMILES notation for 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine?
The canonical SMILES for 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine is CCn1ccnc1CN1CCC[C@H](c2nccnc2-c2cccc(C)c2)C1.
What is the InChIKey of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine?
The InChIKey is URPQEGSUVFZHJT-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N5/c1-3-27-13-11-23-20(27)16-26-12-5-8-19(15-26)22-21(24-9-10-25-22)18-7-4-6-17(2)14-18/h4,6-7,9-11,13-14,19H,3,5,8,12,15-16H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine?
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine has a molecular weight of 361.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-3-(3-methylphenyl)pyrazine is sourced from PubChem (CID 95819373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).