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

C26H28N2O3S — CID 110231910

IUPAC1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cccc(OC)c2)C1
InChIInChI=1S/C26H28N2O3S/c1-27-25(30)26(17-20-8-3-4-11-22(20)23-12-6-15-32-23)13-7-14-28(18-26)24(29)19-9-5-10-21(16-19)31-2/h3-6,8-12,15-16H,7,13-14,17-18H2,1-2H3,(H,27,30)
InChIKeyVTBXOYKMHOQULN-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.63
Rot. Bonds6

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

1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110231910) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110231910
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC Name1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cccc(OC)c2)C1
InChIInChI=1S/C26H28N2O3S/c1-27-25(30)26(17-20-8-3-4-11-22(20)23-12-6-15-32-23)13-7-14-28(18-26)24(29)19-9-5-10-21(16-19)31-2/h3-6,8-12,15-16H,7,13-14,17-18H2,1-2H3,(H,27,30)
InChIKeyVTBXOYKMHOQULN-UHFFFAOYSA-N
XLogP4.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92599380
N-ethyl-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230773
(3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609529
(3S)-N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583432
(3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92599273
(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)-1-benzoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579912
(3R)-1-benzoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579913
(3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609438
(3R)-N-methyl-1-[(2S)-oxolane-2-carbonyl]-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609702
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 1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 110231910) is 1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)C1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cccc(OC)c2)C1.
What is the InChIKey of 1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is VTBXOYKMHOQULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-27-25(30)26(17-20-8-3-4-11-22(20)23-12-6-15-32-23)13-7-14-28(18-26)24(29)19-9-5-10-21(16-19)31-2/h3-6,8-12,15-16H,7,13-14,17-18H2,1-2H3,(H,27,30).
What are the key properties of 1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110231910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).