N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide

C21H33N3O2S — CID 86984231

About N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide

N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 86984231) has the molecular formula C21H33N3O2S and a molecular weight of 391.58 g/mol. Its IUPAC name is N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
• PubChem CID: 86984231
• Molecular Formula: C21H33N3O2S
• Molecular Weight: 391.58 g/mol
• Exact Mass: 391.23
• IUPAC Name: N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
• SMILES: C=CCN(Cc1cccs1)C(=O)C(C)N1CCC(C(=O)N(C)C(C)C)CC1
• InChI: InChI=1S/C21H33N3O2S/c1-6-11-24(15-19-8-7-14-27-19)20(25)17(4)23-12-9-18(10-13-23)21(26)22(5)16(2)3/h6-8,14,16-18H,1,9-13,15H2,2-5H3
• InChIKey: OUKCCPRGQMBJTG-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 43.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.58
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide?

The IUPAC name of N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 86984231) is N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide.

What is the SMILES notation for N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide?

The canonical SMILES for N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide is C=CCN(Cc1cccs1)C(=O)C(C)N1CCC(C(=O)N(C)C(C)C)CC1.

What is the InChIKey of N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide?

The InChIKey is OUKCCPRGQMBJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2S/c1-6-11-24(15-19-8-7-14-27-19)20(25)17(4)23-12-9-18(10-13-23)21(26)22(5)16(2)3/h6-8,14,16-18H,1,9-13,15H2,2-5H3.

What are the key properties of N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide?

N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 391.58 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 86984231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).