1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone

C12H18N2O2 — CID 166977937

IUPAC1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CNc1ccco1
InChIInChI=1S/C12H18N2O2/c1-10(15)14-7-3-2-5-11(14)9-13-12-6-4-8-16-12/h4,6,8,11,13H,2-3,5,7,9H2,1H3
InChIKeyWVYHRNZZKWNQOU-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.09
Rot. Bonds3

About 1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone

1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone (PubChem CID 166977937) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone
PubChem CID166977937
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CNc1ccco1
InChIInChI=1S/C12H18N2O2/c1-10(15)14-7-3-2-5-11(14)9-13-12-6-4-8-16-12/h4,6,8,11,13H,2-3,5,7,9H2,1H3
InChIKeyWVYHRNZZKWNQOU-UHFFFAOYSA-N
XLogP2.09
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone (CID 166977937) is 1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1CNc1ccco1.
What is the InChIKey of 1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The InChIKey is WVYHRNZZKWNQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(15)14-7-3-2-5-11(14)9-13-12-6-4-8-16-12/h4,6,8,11,13H,2-3,5,7,9H2,1H3.
What are the key properties of 1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone?
1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone has a molecular weight of 222.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(furan-2-ylamino)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166977937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).