2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone

C15H28N2O5 — CID 164633078

IUPAC2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone
SMILESCOC(OC)C(=O)N1CCN(CCO[C@@H]2CCCCO2)CC1
InChIInChI=1S/C15H28N2O5/c1-19-15(20-2)14(18)17-8-6-16(7-9-17)10-12-22-13-5-3-4-11-21-13/h13,15H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyYENWLXWWPGPYDC-CYBMUJFWSA-N
MW316.40 g/mol
LogP0.29
Rot. Bonds7

About 2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone

2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone (PubChem CID 164633078) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone
PubChem CID164633078
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone
SMILESCOC(OC)C(=O)N1CCN(CCO[C@@H]2CCCCO2)CC1
InChIInChI=1S/C15H28N2O5/c1-19-15(20-2)14(18)17-8-6-16(7-9-17)10-12-22-13-5-3-4-11-21-13/h13,15H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyYENWLXWWPGPYDC-CYBMUJFWSA-N
XLogP0.29
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol
CID 63312916
2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone
CID 86789179
3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol
CID 103358054
N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine
CID 115300577
[(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol
CID 124863525
2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol
CID 114799729
2-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl-[2-(oxan-2-yloxy)ethyl]amino]acetic acid
CID 163833946
1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 59984584
(2S)-2-amino-3,3-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]butan-1-one
CID 119895097
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
(2S)-2-amino-3,3-dimethyl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119895096

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone (CID 164633078) is 2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone is COC(OC)C(=O)N1CCN(CCO[C@@H]2CCCCO2)CC1.
What is the InChIKey of 2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone?
The InChIKey is YENWLXWWPGPYDC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-19-15(20-2)14(18)17-8-6-16(7-9-17)10-12-22-13-5-3-4-11-21-13/h13,15H,3-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone?
2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone has a molecular weight of 316.40 g/mol, XLogP of 0.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 164633078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).