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

C20H22N2O4 — CID 96571058

IUPAC1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2=O)c1
InChIInChI=1S/C20H22N2O4/c1-15(26-17-8-4-3-5-9-17)20(24)21-11-12-22(19(23)14-21)16-7-6-10-18(13-16)25-2/h3-10,13,15H,11-12,14H2,1-2H3/t15-/m1/s1
InChIKeyNMYRSFSWENJQPM-OAHLLOKOSA-N
MW354.41 g/mol
LogP2.34
Rot. Bonds5

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

1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one (PubChem CID 96571058) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
PubChem CID96571058
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2=O)c1
InChIInChI=1S/C20H22N2O4/c1-15(26-17-8-4-3-5-9-17)20(24)21-11-12-22(19(23)14-21)16-7-6-10-18(13-16)25-2/h3-10,13,15H,11-12,14H2,1-2H3/t15-/m1/s1
InChIKeyNMYRSFSWENJQPM-OAHLLOKOSA-N
XLogP2.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420
4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96576006
(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
2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17395855
4-[4-(3-methoxyphenyl)-3-oxopiperazine-1-carbonyl]benzonitrile
CID 70735758
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70717844
4-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperazine-1-carbaldehyde
CID 925146
(2S)-2-(4-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 41479279
4-[2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96579896

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one (CID 96571058) is 1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one is COc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one?
The InChIKey is NMYRSFSWENJQPM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-15(26-17-8-4-3-5-9-17)20(24)21-11-12-22(19(23)14-21)16-7-6-10-18(13-16)25-2/h3-10,13,15H,11-12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one?
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one has a molecular weight of 354.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one is sourced from PubChem (CID 96571058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).