2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone

C16H30N2O3 — CID 79911379

IUPAC2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NC2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-15(2)10-13(16(3,4)21-15)17-12-6-8-18(9-7-12)14(19)11-20-5/h12-13,17H,6-11H2,1-5H3
InChIKeyATGLTTKBJFKVGE-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.56
Rot. Bonds4

About 2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone

2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone (PubChem CID 79911379) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone
PubChem CID79911379
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NC2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-15(2)10-13(16(3,4)21-15)17-12-6-8-18(9-7-12)14(19)11-20-5/h12-13,17H,6-11H2,1-5H3
InChIKeyATGLTTKBJFKVGE-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[4-(oxepan-4-ylamino)piperidin-1-yl]ethanone
CID 65082207
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
(2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone
CID 97230073
2-methoxy-1-[4-[(3-methylcyclohexyl)amino]piperidin-1-yl]ethanone
CID 43747559
2-methoxy-1-[4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]ethanone
CID 43791436
phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone
CID 97323716
1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
CID 61325359
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
CID 43747506
1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 103388974
1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea
CID 25073904

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone (CID 79911379) is 2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone is COCC(=O)N1CCC(NC2CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is ATGLTTKBJFKVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2)10-13(16(3,4)21-15)17-12-6-8-18(9-7-12)14(19)11-20-5/h12-13,17H,6-11H2,1-5H3.
What are the key properties of 2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 298.43 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 79911379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).