2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one

C13H20N2O2 — CID 43083284

IUPAC2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
SMILESCC(NCc1ccco1)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N2O2/c1-11(14-10-12-6-5-9-17-12)13(16)15-7-3-2-4-8-15/h5-6,9,11,14H,2-4,7-8,10H2,1H3
InChIKeyXBANYBBUCOGDRT-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.77
Rot. Bonds4

About 2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one

2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 43083284) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID43083284
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
SMILESCC(NCc1ccco1)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N2O2/c1-11(14-10-12-6-5-9-17-12)13(16)15-7-3-2-4-8-15/h5-6,9,11,14H,2-4,7-8,10H2,1H3
InChIKeyXBANYBBUCOGDRT-UHFFFAOYSA-N
XLogP1.77
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one
CID 655966
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one
CID 1439849
2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 106417708
2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62392311
1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one
CID 43401218
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
(3R)-N-(furan-2-ylmethyl)-3-hydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 70330321
N-(furan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 43749052
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-3-carboxamide
CID 51097792
3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088
N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958739
1-(azepan-1-yl)-3-(furan-2-ylmethylamino)propan-1-one
CID 109018638

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one (CID 43083284) is 2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one is CC(NCc1ccco1)C(=O)N1CCCCC1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is XBANYBBUCOGDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(14-10-12-6-5-9-17-12)13(16)15-7-3-2-4-8-15/h5-6,9,11,14H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 236.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 43083284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).