(3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

C25H34N2O2S — CID 92579684

About (3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92579684) has the molecular formula C25H34N2O2S and a molecular weight of 426.63 g/mol. Its IUPAC name is (3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92579684
• Molecular Formula: C25H34N2O2S
• Molecular Weight: 426.63 g/mol
• Exact Mass: 426.23
• IUPAC Name: (3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C2CCOCC2)C1
• InChI: InChI=1S/C25H34N2O2S/c1-19(2)26-24(28)25(12-6-13-27(18-25)21-10-14-29-15-11-21)17-20-7-3-4-8-22(20)23-9-5-16-30-23/h3-5,7-9,16,19,21H,6,10-15,17-18H2,1-2H3,(H,26,28)/t25-/m1/s1
• InChIKey: UGEUBSDEUXTAGA-RUZDIDTESA-N
• XLogP: 4.74
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.63
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 92579684) is (3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C2CCOCC2)C1.

What is the InChIKey of (3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is UGEUBSDEUXTAGA-RUZDIDTESA-N. The full InChI is InChI=1S/C25H34N2O2S/c1-19(2)26-24(28)25(12-6-13-27(18-25)21-10-14-29-15-11-21)17-20-7-3-4-8-22(20)23-9-5-16-30-23/h3-5,7-9,16,19,21H,6,10-15,17-18H2,1-2H3,(H,26,28)/t25-/m1/s1.

What are the key properties of (3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

(3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 426.63 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(oxan-4-yl)-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92579684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).