3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one

C27H30N4O4 — CID 139370133

IUPAC3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one
SMILESO=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)CC1)N1CCOC[C@H]1c1ccccc1
InChIInChI=1S/C27H30N4O4/c32-25-17-23(21-7-3-1-4-8-21)28-20-30(25)19-27(34)11-13-29(14-12-27)26(33)31-15-16-35-18-24(31)22-9-5-2-6-10-22/h1-10,17,20,24,34H,11-16,18-19H2/t24-/m0/s1
InChIKeyMWOPCHILKMMGPB-DEOSSOPVSA-N
MW474.56 g/mol
LogP2.93
Rot. Bonds4

About 3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one

3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one (PubChem CID 139370133) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one
PubChem CID139370133
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one
SMILESO=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)CC1)N1CCOC[C@H]1c1ccccc1
InChIInChI=1S/C27H30N4O4/c32-25-17-23(21-7-3-1-4-8-21)28-20-30(25)19-27(34)11-13-29(14-12-27)26(33)31-15-16-35-18-24(31)22-9-5-2-6-10-22/h1-10,17,20,24,34H,11-16,18-19H2/t24-/m0/s1
InChIKeyMWOPCHILKMMGPB-DEOSSOPVSA-N
XLogP2.93
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one?
The IUPAC name of 3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one (CID 139370133) is 3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one.
What is the SMILES notation for 3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one?
The canonical SMILES for 3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one is O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)CC1)N1CCOC[C@H]1c1ccccc1.
What is the InChIKey of 3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one?
The InChIKey is MWOPCHILKMMGPB-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H30N4O4/c32-25-17-23(21-7-3-1-4-8-21)28-20-30(25)19-27(34)11-13-29(14-12-27)26(33)31-15-16-35-18-24(31)22-9-5-2-6-10-22/h1-10,17,20,24,34H,11-16,18-19H2/t24-/m0/s1.
What are the key properties of 3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one?
3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one has a molecular weight of 474.56 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-1-[(3R)-3-phenylmorpholine-4-carbonyl]piperidin-4-yl]methyl]-6-phenylpyrimidin-4-one is sourced from PubChem (CID 139370133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).