1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide

C26H28N2O2S — CID 155982857

IUPAC1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H28N2O2S/c1-2-27-25(30)26(19-20-10-12-21(13-11-20)23-9-6-18-31-23)14-16-28(17-15-26)24(29)22-7-4-3-5-8-22/h3-13,18H,2,14-17,19H2,1H3,(H,27,30)
InChIKeyLOHBOFUBXDFTSM-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.02
Rot. Bonds6

About 1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide

1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 155982857) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is 1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID155982857
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC Name1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H28N2O2S/c1-2-27-25(30)26(19-20-10-12-21(13-11-20)23-9-6-18-31-23)14-16-28(17-15-26)24(29)22-7-4-3-5-8-22/h3-13,18H,2,14-17,19H2,1H3,(H,27,30)
InChIKeyLOHBOFUBXDFTSM-UHFFFAOYSA-N
XLogP5.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 124946896
1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231239
(3R)-N-ethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592218
N-ethyl-1-(pyridine-3-carbonyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083678
1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 110084101
N-ethyl-1-(5-methylthiophene-3-carbonyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982942
N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229522
(3R)-N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 136735194
N-ethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229523
N-ethyl-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230773
1-(cyclohexanecarbonyl)-N-methyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083763
1-(pyridine-2-carbonyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805695

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide (CID 155982857) is 1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide is CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is LOHBOFUBXDFTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S/c1-2-27-25(30)26(19-20-10-12-21(13-11-20)23-9-6-18-31-23)14-16-28(17-15-26)24(29)22-7-4-3-5-8-22/h3-13,18H,2,14-17,19H2,1H3,(H,27,30).
What are the key properties of 1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155982857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).