1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone

C22H28N4O2 — CID 95819217

IUPAC1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CN3CCOCC3)C2)c1
InChIInChI=1S/C22H28N4O2/c1-17-4-2-5-18(14-17)21-22(24-8-7-23-21)19-6-3-9-26(15-19)20(27)16-25-10-12-28-13-11-25/h2,4-5,7-8,14,19H,3,6,9-13,15-16H2,1H3/t19-/m1/s1
InChIKeyXJRVYYLTCKKGSB-LJQANCHMSA-N
MW380.49 g/mol
LogP2.49
Rot. Bonds4

About 1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 95819217) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID95819217
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CN3CCOCC3)C2)c1
InChIInChI=1S/C22H28N4O2/c1-17-4-2-5-18(14-17)21-22(24-8-7-23-21)19-6-3-9-26(15-19)20(27)16-25-10-12-28-13-11-25/h2,4-5,7-8,14,19H,3,6,9-13,15-16H2,1H3/t19-/m1/s1
InChIKeyXJRVYYLTCKKGSB-LJQANCHMSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-1-[(3S)-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819232
3-[3-[1-(2-morpholin-4-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110255104
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819220
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 110254922
cyclopentyl-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819177
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110255017
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819263
1-[(3R)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95838897
1-[3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 110267979
N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819324

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 95819217) is 1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CN3CCOCC3)C2)c1.
What is the InChIKey of 1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is XJRVYYLTCKKGSB-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-4-2-5-18(14-17)21-22(24-8-7-23-21)19-6-3-9-26(15-19)20(27)16-25-10-12-28-13-11-25/h2,4-5,7-8,14,19H,3,6,9-13,15-16H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 380.49 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 95819217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).