5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one

C24H28N4O4 — CID 146617976

IUPAC5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
SMILESO=C(Cc1nc[nH]c(=O)c1O)N1CCC(C#Cc2ccc(CN3CCOCC3)cc2)CC1
InChIInChI=1S/C24H28N4O4/c29-22(15-21-23(30)24(31)26-17-25-21)28-9-7-19(8-10-28)2-1-18-3-5-20(6-4-18)16-27-11-13-32-14-12-27/h3-6,17,19,30H,7-16H2,(H,25,26,31)
InChIKeyRELQVGIDBYIVEN-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.14
Rot. Bonds4

About 5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one

5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one (PubChem CID 146617976) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
PubChem CID146617976
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
SMILESO=C(Cc1nc[nH]c(=O)c1O)N1CCC(C#Cc2ccc(CN3CCOCC3)cc2)CC1
InChIInChI=1S/C24H28N4O4/c29-22(15-21-23(30)24(31)26-17-25-21)28-9-7-19(8-10-28)2-1-18-3-5-20(6-4-18)16-27-11-13-32-14-12-27/h3-6,17,19,30H,7-16H2,(H,25,26,31)
InChIKeyRELQVGIDBYIVEN-UHFFFAOYSA-N
XLogP1.14
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one (CID 146617976) is 5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one is O=C(Cc1nc[nH]c(=O)c1O)N1CCC(C#Cc2ccc(CN3CCOCC3)cc2)CC1.
What is the InChIKey of 5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The InChIKey is RELQVGIDBYIVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c29-22(15-21-23(30)24(31)26-17-25-21)28-9-7-19(8-10-28)2-1-18-3-5-20(6-4-18)16-27-11-13-32-14-12-27/h3-6,17,19,30H,7-16H2,(H,25,26,31).
What are the key properties of 5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one has a molecular weight of 436.51 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-[2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 146617976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).