(3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C22H30N6O2 — CID 96573291

About (3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

(3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 96573291) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 96573291
• Molecular Formula: C22H30N6O2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.24
• IUPAC Name: (3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• SMILES: Cc1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n[nH]1
• InChI: InChI=1S/C22H30N6O2/c1-16-12-20(26-25-16)22(30)27-10-6-19(7-11-27)28-9-3-5-18(15-28)21(29)24-14-17-4-2-8-23-13-17/h2,4,8,12-13,18-19H,3,5-7,9-11,14-15H2,1H3,(H,24,29)(H,25,26)/t18-/m1/s1
• InChIKey: SHUSNUXRRDWGTA-GOSISDBHSA-N
• XLogP: 1.75
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?

The IUPAC name of (3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 96573291) is (3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is Cc1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n[nH]1.

What is the InChIKey of (3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?

The InChIKey is SHUSNUXRRDWGTA-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-16-12-20(26-25-16)22(30)27-10-6-19(7-11-27)28-9-3-5-18(15-28)21(29)24-14-17-4-2-8-23-13-17/h2,4,8,12-13,18-19H,3,5-7,9-11,14-15H2,1H3,(H,24,29)(H,25,26)/t18-/m1/s1.

What are the key properties of (3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?

(3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 96573291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).