1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone

C21H25FN4O2 — CID 95819220

IUPAC1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1
InChIInChI=1S/C21H25FN4O2/c22-18-5-3-16(4-6-18)20-21(24-8-7-23-20)17-2-1-9-26(14-17)19(27)15-25-10-12-28-13-11-25/h3-8,17H,1-2,9-15H2/t17-/m0/s1
InChIKeyQUZXVUBHKQAJJJ-KRWDZBQOSA-N
MW384.46 g/mol
LogP2.32
Rot. Bonds4

About 1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 95819220) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID95819220
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1
InChIInChI=1S/C21H25FN4O2/c22-18-5-3-16(4-6-18)20-21(24-8-7-23-20)17-2-1-9-26(14-17)19(27)15-25-10-12-28-13-11-25/h3-8,17H,1-2,9-15H2/t17-/m0/s1
InChIKeyQUZXVUBHKQAJJJ-KRWDZBQOSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819217
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-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819071
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819091
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110255036
2-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 110255043
[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818955
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95819254
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818693
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255005
2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809063

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 95819220) is 1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is QUZXVUBHKQAJJJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-18-5-3-16(4-6-18)20-21(24-8-7-23-20)17-2-1-9-26(14-17)19(27)15-25-10-12-28-13-11-25/h3-8,17H,1-2,9-15H2/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 384.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 95819220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).