1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone

C14H21NO3 — CID 113437384

IUPAC1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone
SMILESCCCOC1CCCN(c2ccc(C(C)=O)o2)C1
InChIInChI=1S/C14H21NO3/c1-3-9-17-12-5-4-8-15(10-12)14-7-6-13(18-14)11(2)16/h6-7,12H,3-5,8-10H2,1-2H3
InChIKeyWYPIWLABGXZKBJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.88
Rot. Bonds5

About 1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone

1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone (PubChem CID 113437384) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone
PubChem CID113437384
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone
SMILESCCCOC1CCCN(c2ccc(C(C)=O)o2)C1
InChIInChI=1S/C14H21NO3/c1-3-9-17-12-5-4-8-15(10-12)14-7-6-13(18-14)11(2)16/h6-7,12H,3-5,8-10H2,1-2H3
InChIKeyWYPIWLABGXZKBJ-UHFFFAOYSA-N
XLogP2.88
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone
CID 103534376
1-[4-bromo-2-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 82967445
[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol
CID 81152025
1-[2-amino-4-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 104528611
1-[5-bromo-2-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 82967366
1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone
CID 104651846
1-[2-chloro-4-(chloromethyl)phenyl]-3-propoxypiperidine
CID 81152608
6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid
CID 62239893
N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
CID 95123718
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380843
2-bromo-3-fluoro-4-(3-propoxypiperidin-1-yl)benzoic acid
CID 107540244

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone (CID 113437384) is 1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone is CCCOC1CCCN(c2ccc(C(C)=O)o2)C1.
What is the InChIKey of 1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone?
The InChIKey is WYPIWLABGXZKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-9-17-12-5-4-8-15(10-12)14-7-6-13(18-14)11(2)16/h6-7,12H,3-5,8-10H2,1-2H3.
What are the key properties of 1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone?
1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone has a molecular weight of 251.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone is sourced from PubChem (CID 113437384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).