2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone

C14H28N2O3 — CID 106675338

IUPAC2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCCC(C)(C)OC)CC1
InChIInChI=1S/C14H28N2O3/c1-14(2,19-4)7-8-15-12-5-9-16(10-6-12)13(17)11-18-3/h12,15H,5-11H2,1-4H3
InChIKeyHXYMLSJZWOJONS-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.03
Rot. Bonds7

About 2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone

2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone (PubChem CID 106675338) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone
PubChem CID106675338
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCCC(C)(C)OC)CC1
InChIInChI=1S/C14H28N2O3/c1-14(2,19-4)7-8-15-12-5-9-16(10-6-12)13(17)11-18-3/h12,15H,5-11H2,1-4H3
InChIKeyHXYMLSJZWOJONS-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
CID 61325359
1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone
CID 81412783
4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine
CID 103037173
1-cyclopropyl-N-(3-methoxy-3-methylbutyl)piperidin-4-amine
CID 106675336
2-methoxy-1-[4-(2-methylpentylamino)piperidin-1-yl]ethanone
CID 43747502
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methoxy-3-methylbutan-1-one
CID 103021623
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpropanamide
CID 61266193
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
CID 43747506
tert-butyl 3-[(3-methoxy-3-methylbutyl)amino]azepane-1-carboxylate
CID 107249434
2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
CID 58139999
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone (CID 106675338) is 2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone is COCC(=O)N1CCC(NCCC(C)(C)OC)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone?
The InChIKey is HXYMLSJZWOJONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(2,19-4)7-8-15-12-5-9-16(10-6-12)13(17)11-18-3/h12,15H,5-11H2,1-4H3.
What are the key properties of 2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone has a molecular weight of 272.39 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 106675338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).