1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione

C15H21NO4 — CID 125170714

IUPAC1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione
SMILESCOC[C@@H](C)C1CCN(C(=O)C(=O)c2ccco2)CC1
InChIInChI=1S/C15H21NO4/c1-11(10-19-2)12-5-7-16(8-6-12)15(18)14(17)13-4-3-9-20-13/h3-4,9,11-12H,5-8,10H2,1-2H3/t11-/m1/s1
InChIKeyJZSNUOBTYSWKJJ-LLVKDONJSA-N
MW279.34 g/mol
LogP1.98
Rot. Bonds5

About 1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione

1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione (PubChem CID 125170714) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione
PubChem CID125170714
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione
SMILESCOC[C@@H](C)C1CCN(C(=O)C(=O)c2ccco2)CC1
InChIInChI=1S/C15H21NO4/c1-11(10-19-2)12-5-7-16(8-6-12)15(18)14(17)13-4-3-9-20-13/h3-4,9,11-12H,5-8,10H2,1-2H3/t11-/m1/s1
InChIKeyJZSNUOBTYSWKJJ-LLVKDONJSA-N
XLogP1.98
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione with MolForge

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Related Compounds

furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]methanone
CID 95867172
furan-2-yl-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357772
N-(2-cyclopropylpropyl)furan-2-carboxamide
CID 115591186
1-(furan-2-yl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanone
CID 55004845
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119700558
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 46037046
1-(furan-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971558
1-(furan-2-yl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethane-1,2-dione
CID 77081258
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
2-[1-[3-(furan-2-carbonylamino)propanoyl]piperidin-4-yl]-2-methoxyacetic acid
CID 154872226

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione (CID 125170714) is 1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione is COC[C@@H](C)C1CCN(C(=O)C(=O)c2ccco2)CC1.
What is the InChIKey of 1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione?
The InChIKey is JZSNUOBTYSWKJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(10-19-2)12-5-7-16(8-6-12)15(18)14(17)13-4-3-9-20-13/h3-4,9,11-12H,5-8,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione?
1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione has a molecular weight of 279.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[4-[(2S)-1-methoxypropan-2-yl]piperidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 125170714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).