1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one

C14H21NO3 — CID 114509981

IUPAC1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
SMILESCCC1CN(C(=O)CCc2ccco2)CCC1O
InChIInChI=1S/C14H21NO3/c1-2-11-10-15(8-7-13(11)16)14(17)6-5-12-4-3-9-18-12/h3-4,9,11,13,16H,2,5-8,10H2,1H3
InChIKeyQQRXFSZUMPSOTQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.83
Rot. Bonds4

About 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one

1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one (PubChem CID 114509981) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
PubChem CID114509981
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
SMILESCCC1CN(C(=O)CCc2ccco2)CCC1O
InChIInChI=1S/C14H21NO3/c1-2-11-10-15(8-7-13(11)16)14(17)6-5-12-4-3-9-18-12/h3-4,9,11,13,16H,2,5-8,10H2,1H3
InChIKeyQQRXFSZUMPSOTQ-UHFFFAOYSA-N
XLogP1.83
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 62062665
1-(3-bromo-4-methylpiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 102961987
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 114802131
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 86896760
1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 55210563
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 114509852
2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid
CID 62689381
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 63340908
N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 128968158
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 114510009
1-[(3S,4S)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 133128691

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one (CID 114509981) is 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one is CCC1CN(C(=O)CCc2ccco2)CCC1O.
What is the InChIKey of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one?
The InChIKey is QQRXFSZUMPSOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-11-10-15(8-7-13(11)16)14(17)6-5-12-4-3-9-18-12/h3-4,9,11,13,16H,2,5-8,10H2,1H3.
What are the key properties of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one?
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 114509981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).