1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone

C12H18N2O2 — CID 60979868

IUPAC1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2ccoc2)CC1
InChIInChI=1S/C12H18N2O2/c1-10(15)14-5-2-12(3-6-14)13-8-11-4-7-16-9-11/h4,7,9,12-13H,2-3,5-6,8H2,1H3
InChIKeyZTRCOHBAOKYHBV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.38
Rot. Bonds3

About 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone

1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone (PubChem CID 60979868) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone
PubChem CID60979868
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2ccoc2)CC1
InChIInChI=1S/C12H18N2O2/c1-10(15)14-5-2-12(3-6-14)13-8-11-4-7-16-9-11/h4,7,9,12-13H,2-3,5-6,8H2,1H3
InChIKeyZTRCOHBAOKYHBV-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 63000805
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894
1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone
CID 103605566
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]acetonitrile;hydrochloride
CID 115617505
1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone
CID 43280982
N-(furan-3-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64722368
2-(cyclopentylamino)-N-(furan-3-ylmethyl)acetamide
CID 115746985
1-[4-[(2,3,6-trichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43234694
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63424145
CID 140622429
CID 140622429
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone (CID 60979868) is 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2ccoc2)CC1.
What is the InChIKey of 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is ZTRCOHBAOKYHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(15)14-5-2-12(3-6-14)13-8-11-4-7-16-9-11/h4,7,9,12-13H,2-3,5-6,8H2,1H3.
What are the key properties of 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone?
1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 222.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 60979868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).