(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone

C12H17NO3 — CID 114509899

IUPAC(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone
SMILESCCC1CN(C(=O)c2ccoc2)CCC1O
InChIInChI=1S/C12H17NO3/c1-2-9-7-13(5-3-11(9)14)12(15)10-4-6-16-8-10/h4,6,8-9,11,14H,2-3,5,7H2,1H3
InChIKeyWXHVYVVGCYZEAU-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.51
Rot. Bonds2

About (3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone

(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone (PubChem CID 114509899) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone
PubChem CID114509899
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone
SMILESCCC1CN(C(=O)c2ccoc2)CCC1O
InChIInChI=1S/C12H17NO3/c1-2-9-7-13(5-3-11(9)14)12(15)10-4-6-16-8-10/h4,6,8-9,11,14H,2-3,5,7H2,1H3
InChIKeyWXHVYVVGCYZEAU-UHFFFAOYSA-N
XLogP1.51
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone
CID 114506512
(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753502
[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 80666702
(3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone
CID 102962435
[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(furan-3-yl)methanone
CID 70751006
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl(furan-3-yl)methanone
CID 68602223
(3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 114510033
methyl (3R,4S)-1-(furan-3-carbonyl)-3-methylpiperidine-4-carboxylate
CID 99794318
N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080410

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone?
The IUPAC name of (3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone (CID 114509899) is (3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone.
What is the SMILES notation for (3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone?
The canonical SMILES for (3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone is CCC1CN(C(=O)c2ccoc2)CCC1O.
What is the InChIKey of (3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone?
The InChIKey is WXHVYVVGCYZEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-9-7-13(5-3-11(9)14)12(15)10-4-6-16-8-10/h4,6,8-9,11,14H,2-3,5,7H2,1H3.
What are the key properties of (3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone?
(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone has a molecular weight of 223.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone is sourced from PubChem (CID 114509899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).