(3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

C26H28N2O3S — CID 92599273

IUPAC(3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(CC(=O)N2CCC[C@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)c1
InChIInChI=1S/C26H28N2O3S/c1-31-21-9-4-7-19(15-21)16-24(29)28-13-6-12-26(18-28,25(27)30)17-20-8-2-3-10-22(20)23-11-5-14-32-23/h2-5,7-11,14-15H,6,12-13,16-18H2,1H3,(H2,27,30)/t26-/m1/s1
InChIKeyHIURWFHCGWHVLN-AREMUKBSSA-N
MW448.59 g/mol
LogP4.30
Rot. Bonds7

About (3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92599273) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is (3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92599273
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC Name(3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(CC(=O)N2CCC[C@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)c1
InChIInChI=1S/C26H28N2O3S/c1-31-21-9-4-7-19(15-21)16-24(29)28-13-6-12-26(18-28,25(27)30)17-20-8-2-3-10-22(20)23-11-5-14-32-23/h2-5,7-11,14-15H,6,12-13,16-18H2,1H3,(H2,27,30)/t26-/m1/s1
InChIKeyHIURWFHCGWHVLN-AREMUKBSSA-N
XLogP4.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 92599273) is (3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is COc1cccc(CC(=O)N2CCC[C@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)c1.
What is the InChIKey of (3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is HIURWFHCGWHVLN-AREMUKBSSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-31-21-9-4-7-19(15-21)16-24(29)28-13-6-12-26(18-28,25(27)30)17-20-8-2-3-10-22(20)23-11-5-14-32-23/h2-5,7-11,14-15H,6,12-13,16-18H2,1H3,(H2,27,30)/t26-/m1/s1.
What are the key properties of (3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(3-methoxyphenyl)acetyl]-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92599273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).