[1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone

C23H27NO2 — CID 2741902

IUPAC[1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(C(=O)c3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C23H27NO2/c1-15-5-7-20(8-6-15)23(26)24-11-9-19(10-12-24)22(25)21-17(3)13-16(2)14-18(21)4/h5-8,13-14,19H,9-12H2,1-4H3
InChIKeyPBVNYACRLQMXSD-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.66
Rot. Bonds3

About [1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone

[1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 2741902) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is [1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
PubChem CID2741902
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name[1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(C(=O)c3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C23H27NO2/c1-15-5-7-20(8-6-15)23(26)24-11-9-19(10-12-24)22(25)21-17(3)13-16(2)14-18(21)4/h5-8,13-14,19H,9-12H2,1-4H3
InChIKeyPBVNYACRLQMXSD-UHFFFAOYSA-N
XLogP4.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone (CID 2741902) is [1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone is Cc1ccc(C(=O)N2CCC(C(=O)c3c(C)cc(C)cc3C)CC2)cc1.
What is the InChIKey of [1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is PBVNYACRLQMXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-15-5-7-20(8-6-15)23(26)24-11-9-19(10-12-24)22(25)21-17(3)13-16(2)14-18(21)4/h5-8,13-14,19H,9-12H2,1-4H3.
What are the key properties of [1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
[1-(4-methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 349.47 g/mol, XLogP of 4.66, 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]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 2741902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).