1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide

C20H25N5O2 — CID 97132181

About 1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide

1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide (PubChem CID 97132181) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide
• PubChem CID: 97132181
• Molecular Formula: C20H25N5O2
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.20
• IUPAC Name: 1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide
• SMILES: NC(=O)C1CCN(CC(=O)N2CCn3cccc3[C@H]2c2cccnc2)CC1
• InChI: InChI=1S/C20H25N5O2/c21-20(27)15-5-9-23(10-6-15)14-18(26)25-12-11-24-8-2-4-17(24)19(25)16-3-1-7-22-13-16/h1-4,7-8,13,15,19H,5-6,9-12,14H2,(H2,21,27)/t19-/m1/s1
• InChIKey: OIQJBWFEDKSGAA-LJQANCHMSA-N
• XLogP: 1.01
• TPSA: 84.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide?

The IUPAC name of 1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide (CID 97132181) is 1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)N2CCn3cccc3[C@H]2c2cccnc2)CC1.

What is the InChIKey of 1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide?

The InChIKey is OIQJBWFEDKSGAA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N5O2/c21-20(27)15-5-9-23(10-6-15)14-18(26)25-12-11-24-8-2-4-17(24)19(25)16-3-1-7-22-13-16/h1-4,7-8,13,15,19H,5-6,9-12,14H2,(H2,21,27)/t19-/m1/s1.

What are the key properties of 1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide?

1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 97132181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).