[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone

C23H23ClN4O — CID 110252560

IUPAC[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(Cc2cccc(Cl)c2)cc(C2CCCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C23H23ClN4O/c1-16-10-18(11-17-4-2-6-20(24)12-17)13-21(27-16)19-5-3-9-28(15-19)23(29)22-14-25-7-8-26-22/h2,4,6-8,10,12-14,19H,3,5,9,11,15H2,1H3
InChIKeySOYLFAGIUZMXSQ-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.44
Rot. Bonds4

About [3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone

[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 110252560) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is [3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID110252560
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC Name[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(Cc2cccc(Cl)c2)cc(C2CCCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C23H23ClN4O/c1-16-10-18(11-17-4-2-6-20(24)12-17)13-21(27-16)19-5-3-9-28(15-19)23(29)22-14-25-7-8-26-22/h2,4,6-8,10,12-14,19H,3,5,9,11,15H2,1H3
InChIKeySOYLFAGIUZMXSQ-UHFFFAOYSA-N
XLogP4.44
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124994629
[(3S)-3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 95814467
[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110253819
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809563
[(3R)-3-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816332
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95814280
[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95824147
[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 124986912
2-[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 110252623
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816331
[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95814285
1-[(3R)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95816388

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 110252560) is [3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone is Cc1cc(Cc2cccc(Cl)c2)cc(C2CCCN(C(=O)c3cnccn3)C2)n1.
What is the InChIKey of [3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is SOYLFAGIUZMXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O/c1-16-10-18(11-17-4-2-6-20(24)12-17)13-21(27-16)19-5-3-9-28(15-19)23(29)22-14-25-7-8-26-22/h2,4,6-8,10,12-14,19H,3,5,9,11,15H2,1H3.
What are the key properties of [3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 406.92 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 110252560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).