[1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

C20H20FNO3 — CID 24746982

IUPAC[1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H20FNO3/c1-25-18-8-4-14(5-9-18)19(23)15-10-12-22(13-11-15)20(24)16-2-6-17(21)7-3-16/h2-9,15H,10-13H2,1H3
InChIKeyBTMQRLRMKQWTCL-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.57
Rot. Bonds4

About [1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 24746982) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is [1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID24746982
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name[1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H20FNO3/c1-25-18-8-4-14(5-9-18)19(23)15-10-12-22(13-11-15)20(24)16-2-6-17(21)7-3-16/h2-9,15H,10-13H2,1H3
InChIKeyBTMQRLRMKQWTCL-UHFFFAOYSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Snc 80
CID 123924
ML337
CID 60204017
1-Propanone, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
CID 70563
2-(4-Methoxy-benzyl)-4H-isoquinoline-1,3-dione
CID 1475552
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 746156
4-methoxy-N-(2-oxo-2-phenylethyl)benzamide
CID 796649
N-(4-methoxyphenethyl)benzamide
CID 3083797
4-(4-Methoxybenzoyl)morpholine
CID 82013
N,N-Diethyl-para-anisamide
CID 231459
AC-90179
CID 9799308
(4-((4-Ethoxyphenoxy)methyl)phenyl)(3-methylpiperidin-1-yl)methanone
CID 2942250

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 24746982) is [1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is BTMQRLRMKQWTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-25-18-8-4-14(5-9-18)19(23)15-10-12-22(13-11-15)20(24)16-2-6-17(21)7-3-16/h2-9,15H,10-13H2,1H3.
What are the key properties of [1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 341.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 24746982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).