N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide

C25H28N4O2S — CID 110232679

About N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide

N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110232679) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 110232679
• Molecular Formula: C25H28N4O2S
• Molecular Weight: 448.59 g/mol
• Exact Mass: 448.19
• IUPAC Name: N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: Cc1cc(C(=O)N2CCCC(Cc3ccccc3-c3cncnc3)(C(=O)N(C)C)C2)cs1
• InChI: InChI=1S/C25H28N4O2S/c1-18-11-20(15-32-18)23(30)29-10-6-9-25(16-29,24(31)28(2)3)12-19-7-4-5-8-22(19)21-13-26-17-27-14-21/h4-5,7-8,11,13-15,17H,6,9-10,12,16H2,1-3H3
• InChIKey: HYVGSAFJJQFUEX-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 66.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.59
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide (CID 110232679) is N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide is Cc1cc(C(=O)N2CCCC(Cc3ccccc3-c3cncnc3)(C(=O)N(C)C)C2)cs1.

What is the InChIKey of N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is HYVGSAFJJQFUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-18-11-20(15-32-18)23(30)29-10-6-9-25(16-29,24(31)28(2)3)12-19-7-4-5-8-22(19)21-13-26-17-27-14-21/h4-5,7-8,11,13-15,17H,6,9-10,12,16H2,1-3H3.

What are the key properties of N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide?

N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-(5-methylthiophene-3-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).