1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one

C17H24N2O3 — CID 124755306

IUPAC1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(C[C@H]3CCCOC3)CC2=O)c1
InChIInChI=1S/C17H24N2O3/c1-21-16-6-2-5-15(10-16)19-8-7-18(12-17(19)20)11-14-4-3-9-22-13-14/h2,5-6,10,14H,3-4,7-9,11-13H2,1H3/t14-/m1/s1
InChIKeyQCCIUAVKZHISEC-CQSZACIVSA-N
MW304.39 g/mol
LogP1.77
Rot. Bonds4

About 1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one

1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one (PubChem CID 124755306) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one
PubChem CID124755306
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(C[C@H]3CCCOC3)CC2=O)c1
InChIInChI=1S/C17H24N2O3/c1-21-16-6-2-5-15(10-16)19-8-7-18(12-17(19)20)11-14-4-3-9-22-13-14/h2,5-6,10,14H,3-4,7-9,11-13H2,1H3/t14-/m1/s1
InChIKeyQCCIUAVKZHISEC-CQSZACIVSA-N
XLogP1.77
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70737370
4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 70739233
(6S)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 42330746
(6R)-4-(cyclopropylmethyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 42330751
1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one
CID 96572161
1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171069764
(3S)-3-(3-methoxyphenyl)-1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]butan-1-one
CID 97018484
1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97188104
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide
CID 91839835
4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 56916300
1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one (CID 124755306) is 1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one is COc1cccc(N2CCN(C[C@H]3CCCOC3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one?
The InChIKey is QCCIUAVKZHISEC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-16-6-2-5-15(10-16)19-8-7-18(12-17(19)20)11-14-4-3-9-22-13-14/h2,5-6,10,14H,3-4,7-9,11-13H2,1H3/t14-/m1/s1.
What are the key properties of 1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one?
1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one is sourced from PubChem (CID 124755306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).