4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one

C19H27N3O4 — CID 95204131

IUPAC4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one
SMILESCOCCN1CCC[C@@](O)(CN2CCN(c3ccccc3)C(=O)C2)C1=O
InChIInChI=1S/C19H27N3O4/c1-26-13-12-21-9-5-8-19(25,18(21)24)15-20-10-11-22(17(23)14-20)16-6-3-2-4-7-16/h2-4,6-7,25H,5,8-15H2,1H3/t19-/m1/s1
InChIKeyVGHHLGZFEFGQJB-LJQANCHMSA-N
MW361.44 g/mol
LogP0.34
Rot. Bonds6

About 4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one

4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one (PubChem CID 95204131) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one
PubChem CID95204131
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one
SMILESCOCCN1CCC[C@@](O)(CN2CCN(c3ccccc3)C(=O)C2)C1=O
InChIInChI=1S/C19H27N3O4/c1-26-13-12-21-9-5-8-19(25,18(21)24)15-20-10-11-22(17(23)14-20)16-6-3-2-4-7-16/h2-4,6-7,25H,5,8-15H2,1H3/t19-/m1/s1
InChIKeyVGHHLGZFEFGQJB-LJQANCHMSA-N
XLogP0.34
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one (CID 95204131) is 4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one is COCCN1CCC[C@@](O)(CN2CCN(c3ccccc3)C(=O)C2)C1=O.
What is the InChIKey of 4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one?
The InChIKey is VGHHLGZFEFGQJB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-26-13-12-21-9-5-8-19(25,18(21)24)15-20-10-11-22(17(23)14-20)16-6-3-2-4-7-16/h2-4,6-7,25H,5,8-15H2,1H3/t19-/m1/s1.
What are the key properties of 4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one?
4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one has a molecular weight of 361.44 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 95204131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).