1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one

C16H25NO2 — CID 19099576

IUPAC1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one
SMILESCC1CCN(C)C(C)C1(C)CCC(=O)c1ccco1
InChIInChI=1S/C16H25NO2/c1-12-8-10-17(4)13(2)16(12,3)9-7-14(18)15-6-5-11-19-15/h5-6,11-13H,7-10H2,1-4H3
InChIKeyYPBSDWLCBRXBCG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.61
Rot. Bonds4

About 1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one

1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one (PubChem CID 19099576) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one
PubChem CID19099576
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one
SMILESCC1CCN(C)C(C)C1(C)CCC(=O)c1ccco1
InChIInChI=1S/C16H25NO2/c1-12-8-10-17(4)13(2)16(12,3)9-7-14(18)15-6-5-11-19-15/h5-6,11-13H,7-10H2,1-4H3
InChIKeyYPBSDWLCBRXBCG-UHFFFAOYSA-N
XLogP3.61
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one?
The IUPAC name of 1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one (CID 19099576) is 1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one.
What is the SMILES notation for 1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one?
The canonical SMILES for 1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one is CC1CCN(C)C(C)C1(C)CCC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one?
The InChIKey is YPBSDWLCBRXBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-8-10-17(4)13(2)16(12,3)9-7-14(18)15-6-5-11-19-15/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one?
1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(1,2,3,4-tetramethylpiperidin-3-yl)propan-1-one is sourced from PubChem (CID 19099576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).