7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one

C20H22N4O3 — CID 99933809

About 7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one

7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 99933809) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

• Compound Name: 7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
• PubChem CID: 99933809
• Molecular Formula: C20H22N4O3
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.17
• IUPAC Name: 7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
• SMILES: O=C1CNc2ccc(C(=O)N3CCC([C@@H](O)c4ccccn4)CC3)cc2N1
• InChI: InChI=1S/C20H22N4O3/c25-18-12-22-15-5-4-14(11-17(15)23-18)20(27)24-9-6-13(7-10-24)19(26)16-3-1-2-8-21-16/h1-5,8,11,13,19,22,26H,6-7,9-10,12H2,(H,23,25)/t19-/m1/s1
• InChIKey: KGRHLRIQPFFCHK-LJQANCHMSA-N
• XLogP: 2.03
• TPSA: 94.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one?

The IUPAC name of 7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one (CID 99933809) is 7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one.

What is the SMILES notation for 7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one?

The canonical SMILES for 7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one is O=C1CNc2ccc(C(=O)N3CCC([C@@H](O)c4ccccn4)CC3)cc2N1.

What is the InChIKey of 7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one?

The InChIKey is KGRHLRIQPFFCHK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-18-12-22-15-5-4-14(11-17(15)23-18)20(27)24-9-6-13(7-10-24)19(26)16-3-1-2-8-21-16/h1-5,8,11,13,19,22,26H,6-7,9-10,12H2,(H,23,25)/t19-/m1/s1.

What are the key properties of 7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one?

7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 99933809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).