6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one

C73H81N9O7 — CID 162147273

About 6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one

6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one (PubChem CID 162147273) has the molecular formula C73H81N9O7 and a molecular weight of 1196.51 g/mol. Its IUPAC name is 6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
• PubChem CID: 162147273
• Molecular Formula: C73H81N9O7
• Molecular Weight: 1196.51 g/mol
• Exact Mass: 1195.63
• IUPAC Name: 6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
• SMILES: CC(=O)Cc1ccc(CCN2CCC(Nc3ccc4c(c3)Cc3cccc(-c5cc(N6CCOCC6)cc(=O)[nH]5)c3O4)CC2)cc1.Nc1ccc(CCN2CCC(Nc3ccc4c(c3)Cc3cccc(-c5cc(N6CCOCC6)cc(=O)[nH]5)c3O4)CC2)cc1
• InChI: InChI=1S/C38H42N4O4.C35H39N5O3/c1-26(43)21-28-7-5-27(6-8-28)11-14-41-15-12-31(13-16-41)39-32-9-10-36-30(23-32)22-29-3-2-4-34(38(29)46-36)35-24-33(25-37(44)40-35)42-17-19-45-20-18-42;36-27-6-4-24(5-7-27)10-13-39-14-11-28(12-15-39)37-29-8-9-33-26(21-29)20-25-2-1-3-31(35(25)43-33)32-22-30(23-34(41)38-32)40-16-18-42-19-17-40/h2-10,23-25,31,39H,11-22H2,1H3,(H,40,44);1-9,21-23,28,37H,10-20,36H2,(H,38,41)
• InChIKey: ZKSNARCEXWAFOM-UHFFFAOYSA-N
• XLogP: 11.10
• TPSA: 182.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1196.51
LogP ≤ 5	11.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?

The IUPAC name of 6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one (CID 162147273) is 6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one.

What is the SMILES notation for 6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?

The canonical SMILES for 6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one is CC(=O)Cc1ccc(CCN2CCC(Nc3ccc4c(c3)Cc3cccc(-c5cc(N6CCOCC6)cc(=O)[nH]5)c3O4)CC2)cc1.Nc1ccc(CCN2CCC(Nc3ccc4c(c3)Cc3cccc(-c5cc(N6CCOCC6)cc(=O)[nH]5)c3O4)CC2)cc1.

What is the InChIKey of 6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?

The InChIKey is ZKSNARCEXWAFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N4O4.C35H39N5O3/c1-26(43)21-28-7-5-27(6-8-28)11-14-41-15-12-31(13-16-41)39-32-9-10-36-30(23-32)22-29-3-2-4-34(38(29)46-36)35-24-33(25-37(44)40-35)42-17-19-45-20-18-42;36-27-6-4-24(5-7-27)10-13-39-14-11-28(12-15-39)37-29-8-9-33-26(21-29)20-25-2-1-3-31(35(25)43-33)32-22-30(23-34(41)38-32)40-16-18-42-19-17-40/h2-10,23-25,31,39H,11-22H2,1H3,(H,40,44);1-9,21-23,28,37H,10-20,36H2,(H,38,41).

What are the key properties of 6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?

6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one has a molecular weight of 1196.51 g/mol, XLogP of 11.10, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 162147273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).