4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one

C19H19ClN2O4 — CID 96576006

IUPAC4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)[C@H](O)c3ccccc3Cl)CC2=O)c1
InChIInChI=1S/C19H19ClN2O4/c1-26-14-6-4-5-13(11-14)22-10-9-21(12-17(22)23)19(25)18(24)15-7-2-3-8-16(15)20/h2-8,11,18,24H,9-10,12H2,1H3/t18-/m1/s1
InChIKeyMXDTVQXITVJRJS-GOSISDBHSA-N
MW374.82 g/mol
LogP2.26
Rot. Bonds4

About 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one

4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one (PubChem CID 96576006) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one
PubChem CID96576006
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)[C@H](O)c3ccccc3Cl)CC2=O)c1
InChIInChI=1S/C19H19ClN2O4/c1-26-14-6-4-5-13(11-14)22-10-9-21(12-17(22)23)19(25)18(24)15-7-2-3-8-16(15)20/h2-8,11,18,24H,9-10,12H2,1H3/t18-/m1/s1
InChIKeyMXDTVQXITVJRJS-GOSISDBHSA-N
XLogP2.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420
(4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide
CID 70714332
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 56709063
1-butyl-4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 95211094
4-[4-(3-methoxyphenyl)-3-oxopiperazine-1-carbonyl]benzonitrile
CID 70735758
4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70717844
4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70737370
4-[2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96579896
1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97188104
4-(2-hydroxy-2-phenylacetyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70714022

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one (CID 96576006) is 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one is COc1cccc(N2CCN(C(=O)[C@H](O)c3ccccc3Cl)CC2=O)c1.
What is the InChIKey of 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one?
The InChIKey is MXDTVQXITVJRJS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-26-14-6-4-5-13(11-14)22-10-9-21(12-17(22)23)19(25)18(24)15-7-2-3-8-16(15)20/h2-8,11,18,24H,9-10,12H2,1H3/t18-/m1/s1.
What are the key properties of 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one?
4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one has a molecular weight of 374.82 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 96576006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).