[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C21H19ClN4O — CID 95818946

IUPAC[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C21H19ClN4O/c22-18-7-1-4-15(12-18)19-20(25-10-9-24-19)17-6-3-11-26(14-17)21(27)16-5-2-8-23-13-16/h1-2,4-5,7-10,12-13,17H,3,6,11,14H2/t17-/m0/s1
InChIKeyJQPCWTLDYAWQAW-KRWDZBQOSA-N
MW378.86 g/mol
LogP4.21
Rot. Bonds3

About [(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95818946) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is [(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95818946
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C21H19ClN4O/c22-18-7-1-4-15(12-18)19-20(25-10-9-24-19)17-6-3-11-26(14-17)21(27)16-5-2-8-23-13-16/h1-2,4-5,7-10,12-13,17H,3,6,11,14H2/t17-/m0/s1
InChIKeyJQPCWTLDYAWQAW-KRWDZBQOSA-N
XLogP4.21
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818967
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818963
1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110089878
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine
CID 110254777
pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110214397
[(3S)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95806520
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110255017
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818693
(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95819020

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 95818946) is [(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1.
What is the InChIKey of [(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is JQPCWTLDYAWQAW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H19ClN4O/c22-18-7-1-4-15(12-18)19-20(25-10-9-24-19)17-6-3-11-26(14-17)21(27)16-5-2-8-23-13-16/h1-2,4-5,7-10,12-13,17H,3,6,11,14H2/t17-/m0/s1.
What are the key properties of [(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 378.86 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95818946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).