[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone

C17H23NO — CID 146883856

IUPAC[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
SMILESCc1ccc(C2(C(=O)N3CCCCC3)CCC2)cc1
InChIInChI=1S/C17H23NO/c1-14-6-8-15(9-7-14)17(10-5-11-17)16(19)18-12-3-2-4-13-18/h6-9H,2-5,10-13H2,1H3
InChIKeySURICCFGVNPUJQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.43
Rot. Bonds2

About [1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone

[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone (PubChem CID 146883856) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is [1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
PubChem CID146883856
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
SMILESCc1ccc(C2(C(=O)N3CCCCC3)CCC2)cc1
InChIInChI=1S/C17H23NO/c1-14-6-8-15(9-7-14)17(10-5-11-17)16(19)18-12-3-2-4-13-18/h6-9H,2-5,10-13H2,1H3
InChIKeySURICCFGVNPUJQ-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone (CID 146883856) is [1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone is Cc1ccc(C2(C(=O)N3CCCCC3)CCC2)cc1.
What is the InChIKey of [1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone?
The InChIKey is SURICCFGVNPUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-14-6-8-15(9-7-14)17(10-5-11-17)16(19)18-12-3-2-4-13-18/h6-9H,2-5,10-13H2,1H3.
What are the key properties of [1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone?
[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone has a molecular weight of 257.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 146883856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).