[1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone

C21H32N2O4 — CID 126805898

IUPAC[1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone
SMILESCCCC1(CO)CCN(C(=O)C2CCN(C(=O)c3ccc(CC)o3)CC2)C1
InChIInChI=1S/C21H32N2O4/c1-3-9-21(15-24)10-13-23(14-21)19(25)16-7-11-22(12-8-16)20(26)18-6-5-17(4-2)27-18/h5-6,16,24H,3-4,7-15H2,1-2H3
InChIKeyWXTTVKPJMJROSU-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.71
Rot. Bonds6

About [1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone

[1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone (PubChem CID 126805898) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is [1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone
PubChem CID126805898
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name[1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone
SMILESCCCC1(CO)CCN(C(=O)C2CCN(C(=O)c3ccc(CC)o3)CC2)C1
InChIInChI=1S/C21H32N2O4/c1-3-9-21(15-24)10-13-23(14-21)19(25)16-7-11-22(12-8-16)20(26)18-6-5-17(4-2)27-18/h5-6,16,24H,3-4,7-15H2,1-2H3
InChIKeyWXTTVKPJMJROSU-UHFFFAOYSA-N
XLogP2.71
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid
CID 63125392
(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38482077
(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 79094746
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 164691604
1-(5-ethylfuran-2-carbonyl)piperidin-4-one
CID 79095458
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-ethylfuran-2-carboxamide
CID 46408699
(5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43427788
[3-(bromomethyl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 80667487
1-(5-ethylfuran-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523042
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone
CID 120809229
[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338
1-(5-ethylfuran-2-carbonyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 79086148

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone?
The IUPAC name of [1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone (CID 126805898) is [1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone is CCCC1(CO)CCN(C(=O)C2CCN(C(=O)c3ccc(CC)o3)CC2)C1.
What is the InChIKey of [1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone?
The InChIKey is WXTTVKPJMJROSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-3-9-21(15-24)10-13-23(14-21)19(25)16-7-11-22(12-8-16)20(26)18-6-5-17(4-2)27-18/h5-6,16,24H,3-4,7-15H2,1-2H3.
What are the key properties of [1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone?
[1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethylfuran-2-carbonyl)piperidin-4-yl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 126805898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).