[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone

C21H23NO2 — CID 24981653

IUPAC[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone
SMILESCC1CC(C)CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C21H23NO2/c1-15-12-16(2)14-22(13-15)21(24)19-10-8-18(9-11-19)20(23)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3
InChIKeyINNBUMMWGMJGSG-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.04
Rot. Bonds3

About [4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone

[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone (PubChem CID 24981653) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is [4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone
PubChem CID24981653
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone
SMILESCC1CC(C)CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C21H23NO2/c1-15-12-16(2)14-22(13-15)21(24)19-10-8-18(9-11-19)20(23)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3
InChIKeyINNBUMMWGMJGSG-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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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone (CID 24981653) is [4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone is CC1CC(C)CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)C1.
What is the InChIKey of [4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone?
The InChIKey is INNBUMMWGMJGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-15-12-16(2)14-22(13-15)21(24)19-10-8-18(9-11-19)20(23)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3.
What are the key properties of [4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone?
[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone 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 [4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone is sourced from PubChem (CID 24981653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).