1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one

C14H22N2O2 — CID 63000805

IUPAC1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(NCc2ccoc2)CC1
InChIInChI=1S/C14H22N2O2/c1-11(2)14(17)16-6-3-13(4-7-16)15-9-12-5-8-18-10-12/h5,8,10-11,13,15H,3-4,6-7,9H2,1-2H3
InChIKeyVETWENFNZVKCRK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.02
Rot. Bonds4

About 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one

1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 63000805) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID63000805
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(NCc2ccoc2)CC1
InChIInChI=1S/C14H22N2O2/c1-11(2)14(17)16-6-3-13(4-7-16)15-9-12-5-8-18-10-12/h5,8,10-11,13,15H,3-4,6-7,9H2,1-2H3
InChIKeyVETWENFNZVKCRK-UHFFFAOYSA-N
XLogP2.02
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone
CID 60979868
1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434832
2-methyl-1-[4-[(4-methylsulfanylphenyl)methylamino]piperidin-1-yl]propan-1-one
CID 43434835
4-[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methyl]benzonitrile
CID 43747785
1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434840
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894
1-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434834
1-[4-[(5-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 115761707
1-[4-[(2-hydroxy-5-methylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 63324768
1-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 103948101
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]acetonitrile;hydrochloride
CID 115617505
1-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 56808728

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one (CID 63000805) is 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(NCc2ccoc2)CC1.
What is the InChIKey of 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is VETWENFNZVKCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)14(17)16-6-3-13(4-7-16)15-9-12-5-8-18-10-12/h5,8,10-11,13,15H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 250.34 g/mol, XLogP of 2.02, 4 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]-2-methylpropan-1-one is sourced from PubChem (CID 63000805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).