1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide

C22H28N2O2S — CID 110083818

IUPAC1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1
InChIInChI=1S/C22H28N2O2S/c1-21(2,3)20(26)24-12-10-22(11-13-24,19(23)25)15-16-6-8-17(9-7-16)18-5-4-14-27-18/h4-9,14H,10-13,15H2,1-3H3,(H2,23,25)
InChIKeyGRXKRPORDNJHGG-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.10
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110083818) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110083818
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1
InChIInChI=1S/C22H28N2O2S/c1-21(2,3)20(26)24-12-10-22(11-13-24,19(23)25)15-16-6-8-17(9-7-16)18-5-4-14-27-18/h4-9,14H,10-13,15H2,1-3H3,(H2,23,25)
InChIKeyGRXKRPORDNJHGG-UHFFFAOYSA-N
XLogP4.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 124961191
1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110083859
1-(pyridine-2-carbonyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805695
1-(2,2-dimethylpropanoyl)-N-prop-2-enyl-4-[(3-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110084027
1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231275
(3S)-1-butanoyl-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586361
(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92571538
1-[4-(pyrrolidine-1-carbonyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidin-1-yl]butan-1-one
CID 110083823
N,N-dimethyl-1-propanoyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231225
(2S)-4-(2,2-dimethylpropanoyl)-N-methyl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849030
1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 155982857
1-(cyclohexanecarbonyl)-N-methyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083763

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide (CID 110083818) is 1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(N)=O)CC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GRXKRPORDNJHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-21(2,3)20(26)24-12-10-22(11-13-24,19(23)25)15-16-6-8-17(9-7-16)18-5-4-14-27-18/h4-9,14H,10-13,15H2,1-3H3,(H2,23,25).
What are the key properties of 1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110083818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).