[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone

C23H23N3O — CID 95809449

IUPAC[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1
InChIInChI=1S/C23H23N3O/c27-23(19-9-5-13-24-16-19)26-14-6-10-20(17-26)22-12-4-11-21(25-22)15-18-7-2-1-3-8-18/h1-5,7-9,11-13,16,20H,6,10,14-15,17H2/t20-/m0/s1
InChIKeyBAGDPGWIOXBVKM-FQEVSTJZSA-N
MW357.46 g/mol
LogP4.09
Rot. Bonds4

About [(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone

[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95809449) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is [(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95809449
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1
InChIInChI=1S/C23H23N3O/c27-23(19-9-5-13-24-16-19)26-14-6-10-20(17-26)22-12-4-11-21(25-22)15-18-7-2-1-3-8-18/h1-5,7-9,11-13,16,20H,6,10,14-15,17H2/t20-/m0/s1
InChIKeyBAGDPGWIOXBVKM-FQEVSTJZSA-N
XLogP4.09
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95809516
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096
1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
CID 95809601
pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110214397
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
[4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809453
[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 124985921
[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 124976602
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809563

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone (CID 95809449) is [(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1.
What is the InChIKey of [(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is BAGDPGWIOXBVKM-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23N3O/c27-23(19-9-5-13-24-16-19)26-14-6-10-20(17-26)22-12-4-11-21(25-22)15-18-7-2-1-3-8-18/h1-5,7-9,11-13,16,20H,6,10,14-15,17H2/t20-/m0/s1.
What are the key properties of [(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone?
[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 357.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95809449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).