[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone

C18H20N2O2 — CID 95811353

IUPAC[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1cccc(OC2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C18H20N2O2/c1-14-4-2-6-17(12-14)22-16-7-10-20(11-8-16)18(21)15-5-3-9-19-13-15/h2-6,9,12-13,16H,7-8,10-11H2,1H3
InChIKeyVBIZPGULNTTWIE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.07
Rot. Bonds3

About [4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone

[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95811353) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95811353
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1cccc(OC2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C18H20N2O2/c1-14-4-2-6-17(12-14)22-16-7-10-20(11-8-16)18(21)15-5-3-9-19-13-15/h2-6,9,12-13,16H,7-8,10-11H2,1H3
InChIKeyVBIZPGULNTTWIE-UHFFFAOYSA-N
XLogP3.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
[4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 70721483
1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70744251
N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
CID 126460807
4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 155219080
[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone
CID 42147776
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162413
(3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone
CID 53150992
[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122158541
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone (CID 95811353) is [4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone is Cc1cccc(OC2CCN(C(=O)c3cccnc3)CC2)c1.
What is the InChIKey of [4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is VBIZPGULNTTWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14-4-2-6-17(12-14)22-16-7-10-20(11-8-16)18(21)15-5-3-9-19-13-15/h2-6,9,12-13,16H,7-8,10-11H2,1H3.
What are the key properties of [4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 296.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95811353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).