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

C35H38N4O3 — CID 121393955

IUPAC4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCN(CCc5ccccc5)CC4)cc2C3)[nH]1
InChIInChI=1S/C35H38N4O3/c40-34-24-30(39-17-19-41-20-18-39)23-32(37-34)31-8-4-7-26-21-27-22-29(9-10-33(27)42-35(26)31)36-28-12-15-38(16-13-28)14-11-25-5-2-1-3-6-25/h1-10,22-24,28,36H,11-21H2,(H,37,40)
InChIKeySOJPQYBNYPHIAR-UHFFFAOYSA-N
MW562.71 g/mol
LogP5.69
Rot. Bonds7

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

4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one (PubChem CID 121393955) has the molecular formula C35H38N4O3 and a molecular weight of 562.71 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
PubChem CID121393955
Molecular FormulaC35H38N4O3
Molecular Weight562.71 g/mol
Exact Mass562.29
IUPAC Name4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCN(CCc5ccccc5)CC4)cc2C3)[nH]1
InChIInChI=1S/C35H38N4O3/c40-34-24-30(39-17-19-41-20-18-39)23-32(37-34)31-8-4-7-26-21-27-22-29(9-10-33(27)42-35(26)31)36-28-12-15-38(16-13-28)14-11-25-5-2-1-3-6-25/h1-10,22-24,28,36H,11-21H2,(H,37,40)
InChIKeySOJPQYBNYPHIAR-UHFFFAOYSA-N
XLogP5.69
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.71
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one (CID 121393955) is 4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)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-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one is O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCN(CCc5ccccc5)CC4)cc2C3)[nH]1.
What is the InChIKey of 4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?
The InChIKey is SOJPQYBNYPHIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O3/c40-34-24-30(39-17-19-41-20-18-39)23-32(37-34)31-8-4-7-26-21-27-22-29(9-10-33(27)42-35(26)31)36-28-12-15-38(16-13-28)14-11-25-5-2-1-3-6-25/h1-10,22-24,28,36H,11-21H2,(H,37,40).
What are the key properties of 4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one?
4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one has a molecular weight of 562.71 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 121393955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).