(4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone

C20H20ClNO2 — CID 1437819

IUPAC(4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H20ClNO2/c1-14-2-4-17(5-3-14)20(24)22-12-10-16(11-13-22)19(23)15-6-8-18(21)9-7-15/h2-9,16H,10-13H2,1H3
InChIKeyKWBXMNSXNFYLAM-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.38
Rot. Bonds3

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

(4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone (PubChem CID 1437819) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
PubChem CID1437819
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name(4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H20ClNO2/c1-14-2-4-17(5-3-14)20(24)22-12-10-16(11-13-22)19(23)15-6-8-18(21)9-7-15/h2-9,16H,10-13H2,1H3
InChIKeyKWBXMNSXNFYLAM-UHFFFAOYSA-N
XLogP4.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone (CID 1437819) is (4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone is Cc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of (4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is KWBXMNSXNFYLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-14-2-4-17(5-3-14)20(24)22-12-10-16(11-13-22)19(23)15-6-8-18(21)9-7-15/h2-9,16H,10-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 341.84 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 1437819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).