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

C19H26N2O5 — CID 96572161

IUPAC1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)COC[C@H]3CCCCO3)CC2=O)c1
InChIInChI=1S/C19H26N2O5/c1-24-16-7-4-5-15(11-16)21-9-8-20(12-18(21)22)19(23)14-25-13-17-6-2-3-10-26-17/h4-5,7,11,17H,2-3,6,8-10,12-14H2,1H3/t17-/m1/s1
InChIKeyYYPULVRRNMAWGK-QGZVFWFLSA-N
MW362.43 g/mol
LogP1.46
Rot. Bonds6

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

1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one (PubChem CID 96572161) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one
PubChem CID96572161
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)COC[C@H]3CCCCO3)CC2=O)c1
InChIInChI=1S/C19H26N2O5/c1-24-16-7-4-5-15(11-16)21-9-8-20(12-18(21)22)19(23)14-25-13-17-6-2-3-10-26-17/h4-5,7,11,17H,2-3,6,8-10,12-14H2,1H3/t17-/m1/s1
InChIKeyYYPULVRRNMAWGK-QGZVFWFLSA-N
XLogP1.46
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one with MolForge

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Related Compounds

1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97188104
1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 97147496
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124757689
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420
4-[2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96579896
4-[4-(3-methoxyphenyl)-3-oxopiperazine-1-carbonyl]benzonitrile
CID 70735758
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124754048
4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 72901150
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91797351
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 96573319

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one (CID 96572161) is 1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one is COc1cccc(N2CCN(C(=O)COC[C@H]3CCCCO3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one?
The InChIKey is YYPULVRRNMAWGK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-24-16-7-4-5-15(11-16)21-9-8-20(12-18(21)22)19(23)14-25-13-17-6-2-3-10-26-17/h4-5,7,11,17H,2-3,6,8-10,12-14H2,1H3/t17-/m1/s1.
What are the key properties of 1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one?
1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one has a molecular weight of 362.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one is sourced from PubChem (CID 96572161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).