3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

C19H30N2O2 — CID 25283958

IUPAC3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCc1ccc(CN2CCC(CCC(=O)N3CCCC3)CC2)o1
InChIInChI=1S/C19H30N2O2/c1-2-17-6-7-18(23-17)15-20-13-9-16(10-14-20)5-8-19(22)21-11-3-4-12-21/h6-7,16H,2-5,8-15H2,1H3
InChIKeyFKUXMFLTEYJFFV-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.46
Rot. Bonds6

About 3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 25283958) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID25283958
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCc1ccc(CN2CCC(CCC(=O)N3CCCC3)CC2)o1
InChIInChI=1S/C19H30N2O2/c1-2-17-6-7-18(23-17)15-20-13-9-16(10-14-20)5-8-19(22)21-11-3-4-12-21/h6-7,16H,2-5,8-15H2,1H3
InChIKeyFKUXMFLTEYJFFV-UHFFFAOYSA-N
XLogP3.46
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45227276
3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42533137
3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218058
[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62439493
1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one
CID 42521399
1-[(5-ethylfuran-2-yl)methyl]piperazine
CID 62346737
3-[1-[(5-nitrofuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218057
N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62439132
3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 72860267
1-(4-benzyl-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one
CID 23768554
3-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216848
[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 15675405

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 25283958) is 3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is CCc1ccc(CN2CCC(CCC(=O)N3CCCC3)CC2)o1.
What is the InChIKey of 3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FKUXMFLTEYJFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-2-17-6-7-18(23-17)15-20-13-9-16(10-14-20)5-8-19(22)21-11-3-4-12-21/h6-7,16H,2-5,8-15H2,1H3.
What are the key properties of 3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 318.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 25283958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).