[4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone

C22H25NO2 — CID 767034

IUPAC[4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(C(=O)N3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C22H25NO2/c1-15-13-16(2)20(17(3)14-15)21(24)18-7-9-19(10-8-18)22(25)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyLPBBTFAYJQRPQA-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.47
Rot. Bonds3

About [4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone

[4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 767034) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone
PubChem CID767034
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name[4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(C(=O)N3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C22H25NO2/c1-15-13-16(2)20(17(3)14-15)21(24)18-7-9-19(10-8-18)22(25)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyLPBBTFAYJQRPQA-UHFFFAOYSA-N
XLogP4.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone (CID 767034) is [4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccc(C(=O)N3CCCCC3)cc2)c(C)c1.
What is the InChIKey of [4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is LPBBTFAYJQRPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-15-13-16(2)20(17(3)14-15)21(24)18-7-9-19(10-8-18)22(25)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12H2,1-3H3.
What are the key properties of [4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone?
[4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 335.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperidine-1-carbonyl)phenyl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 767034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).