1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one

C24H24ClN3O — CID 95819705

IUPAC1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C24H24ClN3O/c25-21-10-4-8-19(14-21)22-15-26-16-23(27-22)20-9-5-13-28(17-20)24(29)12-11-18-6-2-1-3-7-18/h1-4,6-8,10,14-16,20H,5,9,11-13,17H2/t20-/m1/s1
InChIKeyOXLZFXBWXCAPRC-HXUWFJFHSA-N
MW405.93 g/mol
LogP5.14
Rot. Bonds5

About 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one

1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 95819705) has the molecular formula C24H24ClN3O and a molecular weight of 405.93 g/mol. Its IUPAC name is 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID95819705
Molecular FormulaC24H24ClN3O
Molecular Weight405.93 g/mol
Exact Mass405.16
IUPAC Name1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C24H24ClN3O/c25-21-10-4-8-19(14-21)22-15-26-16-23(27-22)20-9-5-13-28(17-20)24(29)12-11-18-6-2-1-3-7-18/h1-4,6-8,10,14-16,20H,5,9,11-13,17H2/t20-/m1/s1
InChIKeyOXLZFXBWXCAPRC-HXUWFJFHSA-N
XLogP5.14
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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]-2-pyridin-4-ylethanone
CID 95819827
1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 110255373
1-[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95809371
[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110255383
2-phenyl-1-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819693
2-[(3S)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanol
CID 95819525
1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 155987017
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-hydroxy-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819992
1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one
CID 95820069

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one (CID 95819705) is 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1.
What is the InChIKey of 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is OXLZFXBWXCAPRC-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24ClN3O/c25-21-10-4-8-19(14-21)22-15-26-16-23(27-22)20-9-5-13-28(17-20)24(29)12-11-18-6-2-1-3-7-18/h1-4,6-8,10,14-16,20H,5,9,11-13,17H2/t20-/m1/s1.
What are the key properties of 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one?
1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 405.93 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 95819705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).