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

C25H26N2O3S — CID 92599380

IUPAC(3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCC[C@@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)c1
InChIInChI=1S/C25H26N2O3S/c1-30-20-9-4-8-18(15-20)23(28)27-13-6-12-25(17-27,24(26)29)16-19-7-2-3-10-21(19)22-11-5-14-31-22/h2-5,7-11,14-15H,6,12-13,16-17H2,1H3,(H2,26,29)/t25-/m0/s1
InChIKeyKGYREYVPASDUKD-VWLOTQADSA-N
MW434.56 g/mol
LogP4.37
Rot. Bonds6

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

(3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92599380) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is (3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92599380
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name(3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCC[C@@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)c1
InChIInChI=1S/C25H26N2O3S/c1-30-20-9-4-8-18(15-20)23(28)27-13-6-12-25(17-27,24(26)29)16-19-7-2-3-10-21(19)22-11-5-14-31-22/h2-5,7-11,14-15H,6,12-13,16-17H2,1H3,(H2,26,29)/t25-/m0/s1
InChIKeyKGYREYVPASDUKD-VWLOTQADSA-N
XLogP4.37
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxybenzoyl)-N-methyl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231910
(3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92599273
N-ethyl-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230773
1-(3-methoxybenzoyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231664
1-[3-(4-methoxyphenyl)propanoyl]-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230820
(3R)-N-methyl-1-(pyridine-3-carbonyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609529
1-(3-methoxybenzoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232160
(3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92575766
(3R)-1-benzoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579913
(3S)-1-benzoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579912
1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110243797
N-ethyl-1-(2-methoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231946

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 92599380) is (3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is COc1cccc(C(=O)N2CCC[C@@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)c1.
What is the InChIKey of (3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is KGYREYVPASDUKD-VWLOTQADSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-30-20-9-4-8-18(15-20)23(28)27-13-6-12-25(17-27,24(26)29)16-19-7-2-3-10-21(19)22-11-5-14-31-22/h2-5,7-11,14-15H,6,12-13,16-17H2,1H3,(H2,26,29)/t25-/m0/s1.
What are the key properties of (3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92599380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).