[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone

C28H28N4O — CID 124985921

IUPAC[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccccc1Cn1cccn1)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1
InChIInChI=1S/C28H28N4O/c33-28(26-14-5-4-11-23(26)21-32-18-8-16-29-32)31-17-7-12-24(20-31)27-15-6-13-25(30-27)19-22-9-2-1-3-10-22/h1-6,8-11,13-16,18,24H,7,12,17,19-21H2/t24-/m1/s1
InChIKeyNUZPHHGLDKETRJ-XMMPIXPASA-N
MW436.56 g/mol
LogP4.94
Rot. Bonds6

About [(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone

[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone (PubChem CID 124985921) has the molecular formula C28H28N4O and a molecular weight of 436.56 g/mol. Its IUPAC name is [(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
PubChem CID124985921
Molecular FormulaC28H28N4O
Molecular Weight436.56 g/mol
Exact Mass436.23
IUPAC Name[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccccc1Cn1cccn1)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1
InChIInChI=1S/C28H28N4O/c33-28(26-14-5-4-11-23(26)21-32-18-8-16-29-32)31-17-7-12-24(20-31)27-15-6-13-25(30-27)19-22-9-2-1-3-10-22/h1-6,8-11,13-16,18,24H,7,12,17,19-21H2/t24-/m1/s1
InChIKeyNUZPHHGLDKETRJ-XMMPIXPASA-N
XLogP4.94
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 124953056
3-[6-[1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 110151582
[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129454897
[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809449
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 129453675
[3-(5-benzyl-2-methylpyrimidin-4-yl)piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 45193214
[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 132767401
1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
CID 95809601
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 110249442
[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 124976602
[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 125003141

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone (CID 124985921) is [(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone is O=C(c1ccccc1Cn1cccn1)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1.
What is the InChIKey of [(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is NUZPHHGLDKETRJ-XMMPIXPASA-N. The full InChI is InChI=1S/C28H28N4O/c33-28(26-14-5-4-11-23(26)21-32-18-8-16-29-32)31-17-7-12-24(20-31)27-15-6-13-25(30-27)19-22-9-2-1-3-10-22/h1-6,8-11,13-16,18,24H,7,12,17,19-21H2/t24-/m1/s1.
What are the key properties of [(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone?
[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 436.56 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 124985921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).