[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone

C17H26N2O4 — CID 56915482

IUPAC[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCN(Cc2ccco2)CC1)N1CC[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C17H26N2O4/c20-12-14-5-8-19(11-16(14)21)17(22)13-3-6-18(7-4-13)10-15-2-1-9-23-15/h1-2,9,13-14,16,20-21H,3-8,10-12H2/t14-,16+/m1/s1
InChIKeyHTPIIMBYOUIDPI-ZBFHGGJFSA-N
MW322.40 g/mol
LogP0.69
Rot. Bonds4

About [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone

[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 56915482) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID56915482
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCN(Cc2ccco2)CC1)N1CC[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C17H26N2O4/c20-12-14-5-8-19(11-16(14)21)17(22)13-3-6-18(7-4-13)10-15-2-1-9-23-15/h1-2,9,13-14,16,20-21H,3-8,10-12H2/t14-,16+/m1/s1
InChIKeyHTPIIMBYOUIDPI-ZBFHGGJFSA-N
XLogP0.69
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97147422
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 133120871
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 97201180
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
CID 97140501
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 72840432
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97187338
[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102
(7R,10aS)-2-(cyclopropanecarbonyl)-9-(furan-2-ylmethyl)-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 97459480
[1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70758520
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 91915719
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 72879174

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone (CID 56915482) is [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone is O=C(C1CCN(Cc2ccco2)CC1)N1CC[C@H](CO)[C@@H](O)C1.
What is the InChIKey of [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is HTPIIMBYOUIDPI-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H26N2O4/c20-12-14-5-8-19(11-16(14)21)17(22)13-3-6-18(7-4-13)10-15-2-1-9-23-15/h1-2,9,13-14,16,20-21H,3-8,10-12H2/t14-,16+/m1/s1.
What are the key properties of [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 322.40 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56915482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).