(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone

C20H20FNO2 — CID 46906319

IUPAC(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H20FNO2/c1-14-3-2-4-17(13-14)20(24)22-11-9-16(10-12-22)19(23)15-5-7-18(21)8-6-15/h2-8,13,16H,9-12H2,1H3
InChIKeyMQJKLSGVNGIUER-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.87
Rot. Bonds3

About (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone

(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone (PubChem CID 46906319) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
PubChem CID46906319
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H20FNO2/c1-14-3-2-4-17(13-14)20(24)22-11-9-16(10-12-22)19(23)15-5-7-18(21)8-6-15/h2-8,13,16H,9-12H2,1H3
InChIKeyMQJKLSGVNGIUER-UHFFFAOYSA-N
XLogP3.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone (CID 46906319) is (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone is Cc1cccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is MQJKLSGVNGIUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-14-3-2-4-17(13-14)20(24)22-11-9-16(10-12-22)19(23)15-5-7-18(21)8-6-15/h2-8,13,16H,9-12H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 325.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 46906319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).