2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone

C14H28N2O2 — CID 43747506

IUPAC2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
SMILESCCC(C)C(C)NC1CCN(C(=O)COC)CC1
InChIInChI=1S/C14H28N2O2/c1-5-11(2)12(3)15-13-6-8-16(9-7-13)14(17)10-18-4/h11-13,15H,5-10H2,1-4H3
InChIKeyLJNHCNDYLFGYHU-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds6

About 2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone

2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone (PubChem CID 43747506) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
PubChem CID43747506
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
SMILESCCC(C)C(C)NC1CCN(C(=O)COC)CC1
InChIInChI=1S/C14H28N2O2/c1-5-11(2)12(3)15-13-6-8-16(9-7-13)14(17)10-18-4/h11-13,15H,5-10H2,1-4H3
InChIKeyLJNHCNDYLFGYHU-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 103388974
1-[4-(1-cyclopropylpropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 115720109
methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate
CID 115891993
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
2-methoxy-1-[4-(2-methylpentylamino)piperidin-1-yl]ethanone
CID 43747502
4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497433
2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43747615
1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
CID 61325359
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone
CID 81412783
2-amino-3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 81083241

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone (CID 43747506) is 2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone is CCC(C)C(C)NC1CCN(C(=O)COC)CC1.
What is the InChIKey of 2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone?
The InChIKey is LJNHCNDYLFGYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-11(2)12(3)15-13-6-8-16(9-7-13)14(17)10-18-4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone has a molecular weight of 256.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43747506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).