[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone

C24H24N2O — CID 95808945

IUPAC[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
SMILESCc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1
InChIInChI=1S/C24H24N2O/c1-18-8-5-11-20(16-18)22-13-6-14-23(25-22)21-12-7-15-26(17-21)24(27)19-9-3-2-4-10-19/h2-6,8-11,13-14,16,21H,7,12,15,17H2,1H3/t21-/m1/s1
InChIKeyMATHOWLCAFMVTE-OAQYLSRUSA-N
MW356.47 g/mol
LogP5.08
Rot. Bonds3

About [(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone

[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone (PubChem CID 95808945) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is [(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
PubChem CID95808945
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
SMILESCc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1
InChIInChI=1S/C24H24N2O/c1-18-8-5-11-20(16-18)22-13-6-14-23(25-22)21-12-7-15-26(17-21)24(27)19-9-3-2-4-10-19/h2-6,8-11,13-14,16,21H,7,12,15,17H2,1H3/t21-/m1/s1
InChIKeyMATHOWLCAFMVTE-OAQYLSRUSA-N
XLogP5.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide
CID 110249286
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 110149950
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 124943104
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958
(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95810788
(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 110089978
1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809803
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 110149301
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110089801
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 132767471
[3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124966949

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone (CID 95808945) is [(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone is Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1.
What is the InChIKey of [(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is MATHOWLCAFMVTE-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N2O/c1-18-8-5-11-20(16-18)22-13-6-14-23(25-22)21-12-7-15-26(17-21)24(27)19-9-3-2-4-10-19/h2-6,8-11,13-14,16,21H,7,12,15,17H2,1H3/t21-/m1/s1.
What are the key properties of [(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 356.47 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 95808945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).