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

C19H17ClFNO2 — CID 46906171

IUPAC[1-(3-chlorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H17ClFNO2/c20-16-3-1-2-15(12-16)19(24)22-10-8-14(9-11-22)18(23)13-4-6-17(21)7-5-13/h1-7,12,14H,8-11H2
InChIKeyRJWILSVYLOKILB-UHFFFAOYSA-N
MW345.80 g/mol
LogP4.21
Rot. Bonds3

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

[1-(3-chlorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 46906171) has the molecular formula C19H17ClFNO2 and a molecular weight of 345.80 g/mol. Its IUPAC name is [1-(3-chlorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(3-chlorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID46906171
Molecular FormulaC19H17ClFNO2
Molecular Weight345.80 g/mol
Exact Mass345.09
IUPAC Name[1-(3-chlorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H17ClFNO2/c20-16-3-1-2-15(12-16)19(24)22-10-8-14(9-11-22)18(23)13-4-6-17(21)7-5-13/h1-7,12,14H,8-11H2
InChIKeyRJWILSVYLOKILB-UHFFFAOYSA-N
XLogP4.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(3-chlorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone (CID 46906171) is [1-(3-chlorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(3-chlorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(3-chlorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of [1-(3-chlorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is RJWILSVYLOKILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO2/c20-16-3-1-2-15(12-16)19(24)22-10-8-14(9-11-22)18(23)13-4-6-17(21)7-5-13/h1-7,12,14H,8-11H2.
What are the key properties of [1-(3-chlorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-(3-chlorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 345.80 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 46906171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).