6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide

C23H30N6O2 — CID 29086450

About 6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide

6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 29086450) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 29086450
• Molecular Formula: C23H30N6O2
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.24
• IUPAC Name: 6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide
• SMILES: NC(=O)c1ccc(N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)nc1
• InChI: InChI=1S/C23H30N6O2/c24-23(31)19-7-8-21(26-16-19)29-11-3-4-18(17-29)6-9-22(30)28-14-12-27(13-15-28)20-5-1-2-10-25-20/h1-2,5,7-8,10,16,18H,3-4,6,9,11-15,17H2,(H2,24,31)/t18-/m1/s1
• InChIKey: GQTWJEUKGXKTHL-GOSISDBHSA-N
• XLogP: 1.92
• TPSA: 95.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide (CID 29086450) is 6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide is NC(=O)c1ccc(N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)nc1.

What is the InChIKey of 6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide?

The InChIKey is GQTWJEUKGXKTHL-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N6O2/c24-23(31)19-7-8-21(26-16-19)29-11-3-4-18(17-29)6-9-22(30)28-14-12-27(13-15-28)20-5-1-2-10-25-20/h1-2,5,7-8,10,16,18H,3-4,6,9,11-15,17H2,(H2,24,31)/t18-/m1/s1.

What are the key properties of 6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide?

6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3R)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 29086450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).