2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one

C13H19ClN2O2 — CID 60654234

IUPAC2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCc1ccc(Cl)o1)C(=O)N1CCCCC1
InChIInChI=1S/C13H19ClN2O2/c1-10(13(17)16-7-3-2-4-8-16)15-9-11-5-6-12(14)18-11/h5-6,10,15H,2-4,7-9H2,1H3
InChIKeyZRBRGJIVTUJESX-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.42
Rot. Bonds4

About 2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one

2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 60654234) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID60654234
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCc1ccc(Cl)o1)C(=O)N1CCCCC1
InChIInChI=1S/C13H19ClN2O2/c1-10(13(17)16-7-3-2-4-8-16)15-9-11-5-6-12(14)18-11/h5-6,10,15H,2-4,7-9H2,1H3
InChIKeyZRBRGJIVTUJESX-UHFFFAOYSA-N
XLogP2.42
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-furan-2-yl}-methanone
CID 11645244
(5-Chlorofuran-2-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
CID 24945301
N-cycloheptyl-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}acetamide
CID 16191237
2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}-N-(2,2,2-trifluoroethyl)acetamide
CID 16192395
(6R)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 53304358
(6S)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 53304359
(6R)-1-(furan-2-ylmethyl)-6-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 53304360
(6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione
CID 53305744
(6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 53306722
(6R)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 53306723
(6S)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 53306724
(5-chlorofuran-2-yl)-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 71455500

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one (CID 60654234) is 2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one is CC(NCc1ccc(Cl)o1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is ZRBRGJIVTUJESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-10(13(17)16-7-3-2-4-8-16)15-9-11-5-6-12(14)18-11/h5-6,10,15H,2-4,7-9H2,1H3.
What are the key properties of 2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 270.76 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 60654234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).