(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone

C17H19NO4 — CID 110883944

IUPAC(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
SMILESO=C(c1occc1COc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C17H19NO4/c19-14-6-9-18(10-7-14)17(20)16-13(8-11-21-16)12-22-15-4-2-1-3-5-15/h1-5,8,11,14,19H,6-7,9-10,12H2
InChIKeyJKHAHXZDECHHSC-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.46
Rot. Bonds4

About (4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone

(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone (PubChem CID 110883944) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
PubChem CID110883944
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
SMILESO=C(c1occc1COc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C17H19NO4/c19-14-6-9-18(10-7-14)17(20)16-13(8-11-21-16)12-22-15-4-2-1-3-5-15/h1-5,8,11,14,19H,6-7,9-10,12H2
InChIKeyJKHAHXZDECHHSC-UHFFFAOYSA-N
XLogP2.46
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 29439907
1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355008
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119486321
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119663957
[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30832889
(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 51305572
[3-(1,1-difluoro-2-hydroxyethyl)pyrrolidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 166315551
[3-(phenoxymethyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997487
[4-(2-hydroxypropyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 56779877
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 95590071
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 56555280
4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-2-one
CID 35795456

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone (CID 110883944) is (4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone is O=C(c1occc1COc1ccccc1)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone?
The InChIKey is JKHAHXZDECHHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c19-14-6-9-18(10-7-14)17(20)16-13(8-11-21-16)12-22-15-4-2-1-3-5-15/h1-5,8,11,14,19H,6-7,9-10,12H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone?
(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone has a molecular weight of 301.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 110883944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).