(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone

C19H20N2O2 — CID 141265347

IUPAC(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C19H20N2O2/c1-14-5-7-15(8-6-14)18(22)16-9-12-21(13-10-16)19(23)17-4-2-3-11-20-17/h2-8,11,16H,9-10,12-13H2,1H3
InChIKeyXMEXXKOKTCFENA-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.13
Rot. Bonds3

About (4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone

(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 141265347) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
PubChem CID141265347
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C19H20N2O2/c1-14-5-7-15(8-6-14)18(22)16-9-12-21(13-10-16)19(23)17-4-2-3-11-20-17/h2-8,11,16H,9-10,12-13H2,1H3
InChIKeyXMEXXKOKTCFENA-UHFFFAOYSA-N
XLogP3.13
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 51089756
[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 38175380
(4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
CID 86824640
[1-[4-(3H-imidazo[4,5-b]pyridin-3-ium-3-yl)benzoyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 163475255
N-methyl-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 86983172
methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 33364889
2-(4-methylphenoxy)-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 108557017
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
CID 95710719
[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone
CID 70757092

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone (CID 141265347) is (4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone is Cc1ccc(C(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is XMEXXKOKTCFENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-5-7-15(8-6-14)18(22)16-9-12-21(13-10-16)19(23)17-4-2-3-11-20-17/h2-8,11,16H,9-10,12-13H2,1H3.
What are the key properties of (4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone?
(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 141265347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).