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

C21H23NO2 — CID 2741000

IUPAC[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H23NO2/c1-15-3-7-17(8-4-15)20(23)18-11-13-22(14-12-18)21(24)19-9-5-16(2)6-10-19/h3-10,18H,11-14H2,1-2H3
InChIKeyZASCHQPPNGSAKO-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.04
Rot. Bonds3

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

[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 2741000) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is [1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID2741000
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H23NO2/c1-15-3-7-17(8-4-15)20(23)18-11-13-22(14-12-18)21(24)19-9-5-16(2)6-10-19/h3-10,18H,11-14H2,1-2H3
InChIKeyZASCHQPPNGSAKO-UHFFFAOYSA-N
XLogP4.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 55956327
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 141265347
(4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 67381029
(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 55956853
[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 51089756
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495188
5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134495102
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 94797927

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone (CID 2741000) is [1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of [1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is ZASCHQPPNGSAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-15-3-7-17(8-4-15)20(23)18-11-13-22(14-12-18)21(24)19-9-5-16(2)6-10-19/h3-10,18H,11-14H2,1-2H3.
What are the key properties of [1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone?
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 321.42 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 2741000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).