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

C25H28N2OS — CID 134800928

IUPACN-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCCN(Cc2cccc(-c3ccsc3)c2)C1
InChIInChI=1S/C25H28N2OS/c1-26(16-20-7-3-2-4-8-20)25(28)23-11-6-13-27(18-23)17-21-9-5-10-22(15-21)24-12-14-29-19-24/h2-5,7-10,12,14-15,19,23H,6,11,13,16-18H2,1H3
InChIKeyNISUXUFKPSQPHF-UHFFFAOYSA-N
MW404.58 g/mol
LogP5.29
Rot. Bonds6

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

N-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 134800928) has the molecular formula C25H28N2OS and a molecular weight of 404.58 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID134800928
Molecular FormulaC25H28N2OS
Molecular Weight404.58 g/mol
Exact Mass404.19
IUPAC NameN-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCCN(Cc2cccc(-c3ccsc3)c2)C1
InChIInChI=1S/C25H28N2OS/c1-26(16-20-7-3-2-4-8-20)25(28)23-11-6-13-27(18-23)17-21-9-5-10-22(15-21)24-12-14-29-19-24/h2-5,7-10,12,14-15,19,23H,6,11,13,16-18H2,1H3
InChIKeyNISUXUFKPSQPHF-UHFFFAOYSA-N
XLogP5.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.58
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 134800928) is N-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide is CN(Cc1ccccc1)C(=O)C1CCCN(Cc2cccc(-c3ccsc3)c2)C1.
What is the InChIKey of N-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is NISUXUFKPSQPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2OS/c1-26(16-20-7-3-2-4-8-20)25(28)23-11-6-13-27(18-23)17-21-9-5-10-22(15-21)24-12-14-29-19-24/h2-5,7-10,12,14-15,19,23H,6,11,13,16-18H2,1H3.
What are the key properties of N-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide?
N-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 404.58 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-[(3-thiophen-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 134800928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).