N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide

C25H26N2O3S — CID 134796269

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CCCCN1Cc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C25H26N2O3S/c28-25(26-14-19-6-9-23-24(13-19)30-17-29-23)22-3-1-2-11-27(22)15-18-4-7-20(8-5-18)21-10-12-31-16-21/h4-10,12-13,16,22H,1-3,11,14-15,17H2,(H,26,28)
InChIKeyLIEUWFXIFUFNCT-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.81
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 134796269) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide
PubChem CID134796269
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CCCCN1Cc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C25H26N2O3S/c28-25(26-14-19-6-9-23-24(13-19)30-17-29-23)22-3-1-2-11-27(22)15-18-4-7-20(8-5-18)21-10-12-31-16-21/h4-10,12-13,16,22H,1-3,11,14-15,17H2,(H,26,28)
InChIKeyLIEUWFXIFUFNCT-UHFFFAOYSA-N
XLogP4.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-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

N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 134801397
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39892035
N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
CID 51069997
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide
CID 4260306
N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249260
N-(1,3-benzodioxol-5-ylmethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240294
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 24792243
1-(1,3-benzodioxol-5-ylmethyl)-3-(cyclopropanecarbonylamino)thiourea
CID 7941644
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide
CID 42031133
N-(1,3-benzodioxol-5-ylmethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 56807672
N-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8869276
N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119261589

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide (CID 134796269) is N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide is O=C(NCc1ccc2c(c1)OCO2)C1CCCCN1Cc1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is LIEUWFXIFUFNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c28-25(26-14-19-6-9-23-24(13-19)30-17-29-23)22-3-1-2-11-27(22)15-18-4-7-20(8-5-18)21-10-12-31-16-21/h4-10,12-13,16,22H,1-3,11,14-15,17H2,(H,26,28).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 134796269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).