4-morpholin-4-yl-6-[7-[[1-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one

C38H44N4O4 — CID 121467579

IUPAC4-morpholin-4-yl-6-[7-[[1-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
SMILESCC(C)Oc1ccc(CCN2CCC(Nc3ccc4c(c3)Cc3cccc(-c5cc(N6CCOCC6)cc(=O)[nH]5)c3O4)CC2)cc1
InChIInChI=1S/C38H44N4O4/c1-26(2)45-33-9-6-27(7-10-33)12-15-41-16-13-30(14-17-41)39-31-8-11-36-29(23-31)22-28-4-3-5-34(38(28)46-36)35-24-32(25-37(43)40-35)42-18-20-44-21-19-42/h3-11,23-26,30,39H,12-22H2,1-2H3,(H,40,43)
InChIKeyOSODJXDSBJITPE-UHFFFAOYSA-N
MW620.79 g/mol
LogP6.48
Rot. Bonds9

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

4-morpholin-4-yl-6-[7-[[1-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one (PubChem CID 121467579) has the molecular formula C38H44N4O4 and a molecular weight of 620.79 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-[7-[[1-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-morpholin-4-yl-6-[7-[[1-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
PubChem CID121467579
Molecular FormulaC38H44N4O4
Molecular Weight620.79 g/mol
Exact Mass620.34
IUPAC Name4-morpholin-4-yl-6-[7-[[1-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
SMILESCC(C)Oc1ccc(CCN2CCC(Nc3ccc4c(c3)Cc3cccc(-c5cc(N6CCOCC6)cc(=O)[nH]5)c3O4)CC2)cc1
InChIInChI=1S/C38H44N4O4/c1-26(2)45-33-9-6-27(7-10-33)12-15-41-16-13-30(14-17-41)39-31-8-11-36-29(23-31)22-28-4-3-5-34(38(28)46-36)35-24-32(25-37(43)40-35)42-18-20-44-21-19-42/h3-11,23-26,30,39H,12-22H2,1-2H3,(H,40,43)
InChIKeyOSODJXDSBJITPE-UHFFFAOYSA-N
XLogP6.48
TPSA79.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.79
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-morpholin-4-yl-6-[7-[[1-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-[7-[[1-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-morpholin-4-yl-6-[7-[[1-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one (CID 121467579) is 4-morpholin-4-yl-6-[7-[[1-[2-(4-propan-2-yloxyphenyl)ethyl]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-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-morpholin-4-yl-6-[7-[[1-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one is CC(C)Oc1ccc(CCN2CCC(Nc3ccc4c(c3)Cc3cccc(-c5cc(N6CCOCC6)cc(=O)[nH]5)c3O4)CC2)cc1.
What is the InChIKey of 4-morpholin-4-yl-6-[7-[[1-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?
The InChIKey is OSODJXDSBJITPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N4O4/c1-26(2)45-33-9-6-27(7-10-33)12-15-41-16-13-30(14-17-41)39-31-8-11-36-29(23-31)22-28-4-3-5-34(38(28)46-36)35-24-32(25-37(43)40-35)42-18-20-44-21-19-42/h3-11,23-26,30,39H,12-22H2,1-2H3,(H,40,43).
What are the key properties of 4-morpholin-4-yl-6-[7-[[1-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?
4-morpholin-4-yl-6-[7-[[1-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one has a molecular weight of 620.79 g/mol, XLogP of 6.48, 9 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-[2-(4-propan-2-yloxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 121467579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).