1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone

C22H28N2O3 — CID 97147496

IUPAC1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone
SMILESO=C(COC[C@H]1CCCCO1)N1CCN(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H28N2O3/c25-22(17-26-16-21-7-3-4-14-27-21)24-12-10-23(11-13-24)20-9-8-18-5-1-2-6-19(18)15-20/h1-2,5-6,8-9,15,21H,3-4,7,10-14,16-17H2/t21-/m1/s1
InChIKeyZNHUKPOYSHWPPU-OAQYLSRUSA-N
MW368.48 g/mol
LogP3.07
Rot. Bonds5

About 1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone

1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone (PubChem CID 97147496) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone
PubChem CID97147496
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone
SMILESO=C(COC[C@H]1CCCCO1)N1CCN(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H28N2O3/c25-22(17-26-16-21-7-3-4-14-27-21)24-12-10-23(11-13-24)20-9-8-18-5-1-2-6-19(18)15-20/h1-2,5-6,8-9,15,21H,3-4,7,10-14,16-17H2/t21-/m1/s1
InChIKeyZNHUKPOYSHWPPU-OAQYLSRUSA-N
XLogP3.07
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone with MolForge

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Related Compounds

1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 99971048
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 96573319
1-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 97128511
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 95882648
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124754048
1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one
CID 96572161
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 136531026
2-(oxolan-2-ylmethoxy)-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
CID 70718982
1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91797351
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95267941
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91840823

Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone?
The IUPAC name of 1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone (CID 97147496) is 1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone.
What is the SMILES notation for 1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone?
The canonical SMILES for 1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone is O=C(COC[C@H]1CCCCO1)N1CCN(c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone?
The InChIKey is ZNHUKPOYSHWPPU-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-22(17-26-16-21-7-3-4-14-27-21)24-12-10-23(11-13-24)20-9-8-18-5-1-2-6-19(18)15-20/h1-2,5-6,8-9,15,21H,3-4,7,10-14,16-17H2/t21-/m1/s1.
What are the key properties of 1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone?
1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone has a molecular weight of 368.48 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone is sourced from PubChem (CID 97147496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).