1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide

C25H32N2O2 — CID 110083859

IUPAC1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1cccc(-c2ccc(CC3(C(N)=O)CCN(C(=O)C(C)(C)C)CC3)cc2)c1
InChIInChI=1S/C25H32N2O2/c1-18-6-5-7-21(16-18)20-10-8-19(9-11-20)17-25(22(26)28)12-14-27(15-13-25)23(29)24(2,3)4/h5-11,16H,12-15,17H2,1-4H3,(H2,26,28)
InChIKeyPUBWINYSVLXSSG-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.34
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 110083859) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID110083859
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1cccc(-c2ccc(CC3(C(N)=O)CCN(C(=O)C(C)(C)C)CC3)cc2)c1
InChIInChI=1S/C25H32N2O2/c1-18-6-5-7-21(16-18)20-10-8-19(9-11-20)17-25(22(26)28)12-14-27(15-13-25)23(29)24(2,3)4/h5-11,16H,12-15,17H2,1-4H3,(H2,26,28)
InChIKeyPUBWINYSVLXSSG-UHFFFAOYSA-N
XLogP4.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide (CID 110083859) is 1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide is Cc1cccc(-c2ccc(CC3(C(N)=O)CCN(C(=O)C(C)(C)C)CC3)cc2)c1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is PUBWINYSVLXSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18-6-5-7-21(16-18)20-10-8-19(9-11-20)17-25(22(26)28)12-14-27(15-13-25)23(29)24(2,3)4/h5-11,16H,12-15,17H2,1-4H3,(H2,26,28).
What are the key properties of 1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110083859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).