3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one

C21H27N3O4 — CID 91640157

IUPAC3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
SMILESO=c1cc(CN2CCN(c3ccccc3)CC2)oc(CN2CCOCC2)c1O
InChIInChI=1S/C21H27N3O4/c25-19-14-18(28-20(21(19)26)16-23-10-12-27-13-11-23)15-22-6-8-24(9-7-22)17-4-2-1-3-5-17/h1-5,14,26H,6-13,15-16H2
InChIKeyVMTPBADPVYQWBL-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.50
Rot. Bonds5

About 3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one

3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one (PubChem CID 91640157) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
PubChem CID91640157
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
SMILESO=c1cc(CN2CCN(c3ccccc3)CC2)oc(CN2CCOCC2)c1O
InChIInChI=1S/C21H27N3O4/c25-19-14-18(28-20(21(19)26)16-23-10-12-27-13-11-23)15-22-6-8-24(9-7-22)17-4-2-1-3-5-17/h1-5,14,26H,6-13,15-16H2
InChIKeyVMTPBADPVYQWBL-UHFFFAOYSA-N
XLogP1.50
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one
CID 91823693
3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one
CID 91823004
3-hydroxy-6-(morpholin-4-ylmethyl)-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyran-4-one
CID 91821740
3-hydroxy-6-(morpholin-4-ylmethyl)-2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyran-4-one
CID 139559645
(9R)-11-[[5-hydroxy-4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-2-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 131665272
3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one
CID 71700816
6-(azepan-1-ylmethyl)-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyran-4-one
CID 91640044
3-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-(hydroxymethyl)pyran-4-one
CID 1279756
methyl (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-phenylpropanoate
CID 99996401
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one
CID 53368786
4-hydroxy-3-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one
CID 54721006
6-(chloromethyl)-2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-3-hydroxypyran-4-one
CID 46933339

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
The IUPAC name of 3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one (CID 91640157) is 3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one is O=c1cc(CN2CCN(c3ccccc3)CC2)oc(CN2CCOCC2)c1O.
What is the InChIKey of 3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
The InChIKey is VMTPBADPVYQWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c25-19-14-18(28-20(21(19)26)16-23-10-12-27-13-11-23)15-22-6-8-24(9-7-22)17-4-2-1-3-5-17/h1-5,14,26H,6-13,15-16H2.
What are the key properties of 3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one?
3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one has a molecular weight of 385.46 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one is sourced from PubChem (CID 91640157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).