2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

C20H28N6O2 — CID 126938291

About 2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126938291) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

• Compound Name: 2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
• PubChem CID: 126938291
• Molecular Formula: C20H28N6O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.23
• IUPAC Name: 2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
• SMILES: O=c1[nH]ccnc1NCC1CCCCN1CCn1nc2c(cc1=O)CCCC2
• InChI: InChI=1S/C20H28N6O2/c27-18-13-15-5-1-2-7-17(15)24-26(18)12-11-25-10-4-3-6-16(25)14-23-19-20(28)22-9-8-21-19/h8-9,13,16H,1-7,10-12,14H2,(H,21,23)(H,22,28)
• InChIKey: QMRHFMVRQZFESR-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?

The IUPAC name of 2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126938291) is 2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

What is the SMILES notation for 2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?

The canonical SMILES for 2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1[nH]ccnc1NCC1CCCCN1CCn1nc2c(cc1=O)CCCC2.

What is the InChIKey of 2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?

The InChIKey is QMRHFMVRQZFESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c27-18-13-15-5-1-2-7-17(15)24-26(18)12-11-25-10-4-3-6-16(25)14-23-19-20(28)22-9-8-21-19/h8-9,13,16H,1-7,10-12,14H2,(H,21,23)(H,22,28).

What are the key properties of 2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?

2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 384.48 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126938291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).