[5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone

C27H27NO2 — CID 16725568

IUPAC[5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone
SMILESCc1cccc(C2C(C(=O)c3ccccc3)CNCC2C(=O)c2ccccc2)c1C
InChIInChI=1S/C27H27NO2/c1-18-10-9-15-22(19(18)2)25-23(26(29)20-11-5-3-6-12-20)16-28-17-24(25)27(30)21-13-7-4-8-14-21/h3-15,23-25,28H,16-17H2,1-2H3
InChIKeyAYXXDQKHBIGSPX-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.99
Rot. Bonds5

About [5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone

[5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone (PubChem CID 16725568) has the molecular formula C27H27NO2 and a molecular weight of 397.52 g/mol. Its IUPAC name is [5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone
PubChem CID16725568
Molecular FormulaC27H27NO2
Molecular Weight397.52 g/mol
Exact Mass397.20
IUPAC Name[5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone
SMILESCc1cccc(C2C(C(=O)c3ccccc3)CNCC2C(=O)c2ccccc2)c1C
InChIInChI=1S/C27H27NO2/c1-18-10-9-15-22(19(18)2)25-23(26(29)20-11-5-3-6-12-20)16-28-17-24(25)27(30)21-13-7-4-8-14-21/h3-15,23-25,28H,16-17H2,1-2H3
InChIKeyAYXXDQKHBIGSPX-UHFFFAOYSA-N
XLogP4.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone?
The IUPAC name of [5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone (CID 16725568) is [5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone.
What is the SMILES notation for [5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone?
The canonical SMILES for [5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone is Cc1cccc(C2C(C(=O)c3ccccc3)CNCC2C(=O)c2ccccc2)c1C.
What is the InChIKey of [5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone?
The InChIKey is AYXXDQKHBIGSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO2/c1-18-10-9-15-22(19(18)2)25-23(26(29)20-11-5-3-6-12-20)16-28-17-24(25)27(30)21-13-7-4-8-14-21/h3-15,23-25,28H,16-17H2,1-2H3.
What are the key properties of [5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone?
[5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone has a molecular weight of 397.52 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzoyl-4-(2,3-dimethylphenyl)piperidin-3-yl]-phenylmethanone is sourced from PubChem (CID 16725568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).