2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone

C15H24N2O3 — CID 75504575

IUPAC2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone
SMILESCOCC(NCC(=O)N1CCCCC1)c1ccc(C)o1
InChIInChI=1S/C15H24N2O3/c1-12-6-7-14(20-12)13(11-19-2)16-10-15(18)17-8-4-3-5-9-17/h6-7,13,16H,3-5,8-11H2,1-2H3
InChIKeyPORZJXXNOCELJK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.88
Rot. Bonds6

About 2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone

2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone (PubChem CID 75504575) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone
PubChem CID75504575
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone
SMILESCOCC(NCC(=O)N1CCCCC1)c1ccc(C)o1
InChIInChI=1S/C15H24N2O3/c1-12-6-7-14(20-12)13(11-19-2)16-10-15(18)17-8-4-3-5-9-17/h6-7,13,16H,3-5,8-11H2,1-2H3
InChIKeyPORZJXXNOCELJK-UHFFFAOYSA-N
XLogP1.88
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60673238
1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone
CID 75471820
3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 103262728
4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673694
[2-methoxy-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105321671
1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 119141578
3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103463484
(2R)-2-ethyl-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylmorpholine-4-carboxamide
CID 99831196
N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124608580
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 106159700
2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
CID 54845364
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(1R)-1-(furan-2-yl)-2-methoxyethyl]amino]ethanone
CID 98888715

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone (CID 75504575) is 2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone is COCC(NCC(=O)N1CCCCC1)c1ccc(C)o1.
What is the InChIKey of 2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone?
The InChIKey is PORZJXXNOCELJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12-6-7-14(20-12)13(11-19-2)16-10-15(18)17-8-4-3-5-9-17/h6-7,13,16H,3-5,8-11H2,1-2H3.
What are the key properties of 2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone?
2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone has a molecular weight of 280.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 75504575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).