1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone

C21H25ClN4O2 — CID 110255373

IUPAC1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCCC(c2cncc(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C21H25ClN4O2/c22-18-5-1-3-16(11-18)19-12-23-13-20(24-19)17-4-2-6-26(14-17)21(27)15-25-7-9-28-10-8-25/h1,3,5,11-13,17H,2,4,6-10,14-15H2
InChIKeyWQVHNMTVNVYXSD-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.84
Rot. Bonds4

About 1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 110255373) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID110255373
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCCC(c2cncc(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C21H25ClN4O2/c22-18-5-1-3-16(11-18)19-12-23-13-20(24-19)17-4-2-6-26(14-17)21(27)15-25-7-9-28-10-8-25/h1,3,5,11-13,17H,2,4,6-10,14-15H2
InChIKeyWQVHNMTVNVYXSD-UHFFFAOYSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819827
1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110255306
1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95819705
1-morpholin-4-yl-2-[3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255279
1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110255376
2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol
CID 95819525
[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110255383
1-piperidin-1-yl-2-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819609
2-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 95819602
2-hydroxy-1-[3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 155899913
N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 110255391
2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 110255373) is 1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCCC(c2cncc(-c3cccc(Cl)c3)n2)C1.
What is the InChIKey of 1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is WQVHNMTVNVYXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c22-18-5-1-3-16(11-18)19-12-23-13-20(24-19)17-4-2-6-26(14-17)21(27)15-25-7-9-28-10-8-25/h1,3,5,11-13,17H,2,4,6-10,14-15H2.
What are the key properties of 1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 400.91 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 110255373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).