3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one

C18H28N2O3 — CID 45227276

IUPAC3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CCCN(Cc2ccc(CO)o2)C1)N1CCCC1
InChIInChI=1S/C18H28N2O3/c21-14-17-7-6-16(23-17)13-19-9-3-4-15(12-19)5-8-18(22)20-10-1-2-11-20/h6-7,15,21H,1-5,8-14H2
InChIKeyYEAINLXCWNBLPP-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.39
Rot. Bonds6

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

3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 45227276) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID45227276
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CCCN(Cc2ccc(CO)o2)C1)N1CCCC1
InChIInChI=1S/C18H28N2O3/c21-14-17-7-6-16(23-17)13-19-9-3-4-15(12-19)5-8-18(22)20-10-1-2-11-20/h6-7,15,21H,1-5,8-14H2
InChIKeyYEAINLXCWNBLPP-UHFFFAOYSA-N
XLogP2.39
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 42415670
3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 25283958
3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45219731
3-[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42404378
3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45187219
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 45210083
[5-(azocan-1-ylmethyl)furan-2-yl]methanol
CID 115879764
[5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
CID 86791646
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894
[5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
CID 95121456
[5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882309
1-(4-benzylpiperazin-1-yl)-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]propan-1-one
CID 45188039

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 45227276) is 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCC1CCCN(Cc2ccc(CO)o2)C1)N1CCCC1.
What is the InChIKey of 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is YEAINLXCWNBLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c21-14-17-7-6-16(23-17)13-19-9-3-4-15(12-19)5-8-18(22)20-10-1-2-11-20/h6-7,15,21H,1-5,8-14H2.
What are the key properties of 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 320.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 45227276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).