N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C23H34N6O — CID 70710902

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 70710902) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 70710902
• Molecular Formula: C23H34N6O
• Molecular Weight: 410.57 g/mol
• Exact Mass: 410.28
• IUPAC Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
• SMILES: CN(Cc1cnn(C)c1)C(=O)C1CCCN(C2CCN(Cc3cccnc3)CC2)C1
• InChI: InChI=1S/C23H34N6O/c1-26(15-20-14-25-27(2)16-20)23(30)21-6-4-10-29(18-21)22-7-11-28(12-8-22)17-19-5-3-9-24-13-19/h3,5,9,13-14,16,21-22H,4,6-8,10-12,15,17-18H2,1-2H3
• InChIKey: WXFQOBCPIBALEP-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 57.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.57
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 70710902) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is CN(Cc1cnn(C)c1)C(=O)C1CCCN(C2CCN(Cc3cccnc3)CC2)C1.

What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

The InChIKey is WXFQOBCPIBALEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-26(15-20-14-25-27(2)16-20)23(30)21-6-4-10-29(18-21)22-7-11-28(12-8-22)17-19-5-3-9-24-13-19/h3,5,9,13-14,16,21-22H,4,6-8,10-12,15,17-18H2,1-2H3.

What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 410.57 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 70710902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).