1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one

C17H28N2O2 — CID 71927370

IUPAC1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCCC1CN(C(=O)C(C)C)CCC1NCc1occc1C
InChIInChI=1S/C17H28N2O2/c1-5-14-11-19(17(20)12(2)3)8-6-15(14)18-10-16-13(4)7-9-21-16/h7,9,12,14-15,18H,5-6,8,10-11H2,1-4H3
InChIKeyDSWPNJDWXRIYKD-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.96
Rot. Bonds5

About 1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one

1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 71927370) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID71927370
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCCC1CN(C(=O)C(C)C)CCC1NCc1occc1C
InChIInChI=1S/C17H28N2O2/c1-5-14-11-19(17(20)12(2)3)8-6-15(14)18-10-16-13(4)7-9-21-16/h7,9,12,14-15,18H,5-6,8,10-11H2,1-4H3
InChIKeyDSWPNJDWXRIYKD-UHFFFAOYSA-N
XLogP2.96
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

1-[(3S,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 97026946
1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 114449206
1-[(3R,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 97026989
[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 114506554
1-[(3S,4R)-3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 97026960
1-[(3R,4R)-3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 97026959
[2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol
CID 111467057
1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone
CID 97097423
N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115652214
1-[(3R,4R)-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 96513505
1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone
CID 96996485
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 114506827

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one (CID 71927370) is 1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one is CCC1CN(C(=O)C(C)C)CCC1NCc1occc1C.
What is the InChIKey of 1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is DSWPNJDWXRIYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-14-11-19(17(20)12(2)3)8-6-15(14)18-10-16-13(4)7-9-21-16/h7,9,12,14-15,18H,5-6,8,10-11H2,1-4H3.
What are the key properties of 1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 292.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-[(3-methylfuran-2-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 71927370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).