4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one

C32H34N4O3S — CID 121467771

About 4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one

4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one (PubChem CID 121467771) has the molecular formula C32H34N4O3S and a molecular weight of 554.72 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
• PubChem CID: 121467771
• Molecular Formula: C32H34N4O3S
• Molecular Weight: 554.72 g/mol
• Exact Mass: 554.24
• IUPAC Name: 4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
• SMILES: O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCN(Cc5cccs5)CC4)cc2C3)[nH]1
• InChI: InChI=1S/C32H34N4O3S/c37-31-20-26(36-12-14-38-15-13-36)19-29(34-31)28-5-1-3-22-17-23-18-25(6-7-30(23)39-32(22)28)33-24-8-10-35(11-9-24)21-27-4-2-16-40-27/h1-7,16,18-20,24,33H,8-15,17,21H2,(H,34,37)
• InChIKey: YZZXPWQLLLDHSI-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 69.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.72
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?

The IUPAC name of 4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one (CID 121467771) is 4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one.

What is the SMILES notation for 4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?

The canonical SMILES for 4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one is O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCN(Cc5cccs5)CC4)cc2C3)[nH]1.

What is the InChIKey of 4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?

The InChIKey is YZZXPWQLLLDHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3S/c37-31-20-26(36-12-14-38-15-13-36)19-29(34-31)28-5-1-3-22-17-23-18-25(6-7-30(23)39-32(22)28)33-24-8-10-35(11-9-24)21-27-4-2-16-40-27/h1-7,16,18-20,24,33H,8-15,17,21H2,(H,34,37).

What are the key properties of 4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?

4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one has a molecular weight of 554.72 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 121467771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).