N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

C22H28N2O3S — CID 110231946

IUPACN-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCCN(C(=O)COC)C1
InChIInChI=1S/C22H28N2O3S/c1-3-23-21(26)22(11-7-12-24(16-22)20(25)15-27-2)14-17-8-4-5-9-18(17)19-10-6-13-28-19/h4-6,8-10,13H,3,7,11-12,14-16H2,1-2H3,(H,23,26)
InChIKeyVKCHNQJNHBMWTN-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.35
Rot. Bonds7

About N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110231946) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110231946
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCCN(C(=O)COC)C1
InChIInChI=1S/C22H28N2O3S/c1-3-23-21(26)22(11-7-12-24(16-22)20(25)15-27-2)14-17-8-4-5-9-18(17)19-10-6-13-28-19/h4-6,8-10,13H,3,7,11-12,14-16H2,1-2H3,(H,23,26)
InChIKeyVKCHNQJNHBMWTN-UHFFFAOYSA-N
XLogP3.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutanecarbonyl)-N-ethyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231947
(3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92585183
(3R)-1-(cyclopentanecarbonyl)-N-ethyl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592262
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585170
N-ethyl-1-(2-pyridin-3-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230781
N-ethyl-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230773
(3R)-1-[2-(methanesulfonamido)acetyl]-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 95850933
N-methyl-1-(2-phenoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230757
(3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609438
(3S)-N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583432
1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231910
N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide
CID 110231925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 110231946) is N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCCN(C(=O)COC)C1.
What is the InChIKey of N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is VKCHNQJNHBMWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-3-23-21(26)22(11-7-12-24(16-22)20(25)15-27-2)14-17-8-4-5-9-18(17)19-10-6-13-28-19/h4-6,8-10,13H,3,7,11-12,14-16H2,1-2H3,(H,23,26).
What are the key properties of N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110231946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).