2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone

C20H29NO4 — CID 70729669

IUPAC2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
SMILESO=C(COCC1CCCCO1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C20H29NO4/c22-20(16-23-15-19-8-4-5-13-24-19)21-11-9-18(10-12-21)25-14-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2
InChIKeyRYCKZVFMHHMZIX-UHFFFAOYSA-N
MW347.45 g/mol
LogP2.78
Rot. Bonds7

About 2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone

2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone (PubChem CID 70729669) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is 2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
PubChem CID70729669
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Name2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
SMILESO=C(COCC1CCCCO1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C20H29NO4/c22-20(16-23-15-19-8-4-5-13-24-19)21-11-9-18(10-12-21)25-14-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2
InChIKeyRYCKZVFMHHMZIX-UHFFFAOYSA-N
XLogP2.78
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethoxy)-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
CID 70718982
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124754048
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 96573319
N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 97082363
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
CID 82016141
1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 97147496
1-[3-(2-methylphenoxy)azetidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91797351
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 99971048
1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 124588553
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide
CID 109449094
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95267941

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone (CID 70729669) is 2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone is O=C(COCC1CCCCO1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
The InChIKey is RYCKZVFMHHMZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c22-20(16-23-15-19-8-4-5-13-24-19)21-11-9-18(10-12-21)25-14-17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16H2.
What are the key properties of 2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone has a molecular weight of 347.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 70729669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).