(1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone

C19H18ClNO2 — CID 1437817

IUPAC(1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H18ClNO2/c20-17-8-6-14(7-9-17)18(22)15-10-12-21(13-11-15)19(23)16-4-2-1-3-5-16/h1-9,15H,10-13H2
InChIKeyOSTAMRYLVYUNHF-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.08
Rot. Bonds3

About (1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone

(1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone (PubChem CID 1437817) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is (1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone
PubChem CID1437817
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name(1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H18ClNO2/c20-17-8-6-14(7-9-17)18(22)15-10-12-21(13-11-15)19(23)16-4-2-1-3-5-16/h1-9,15H,10-13H2
InChIKeyOSTAMRYLVYUNHF-UHFFFAOYSA-N
XLogP4.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone (CID 1437817) is (1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone?
The InChIKey is OSTAMRYLVYUNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c20-17-8-6-14(7-9-17)18(22)15-10-12-21(13-11-15)19(23)16-4-2-1-3-5-16/h1-9,15H,10-13H2.
What are the key properties of (1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone?
(1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone has a molecular weight of 327.81 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-4-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 1437817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).