[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone

C19H23NO5 — CID 163317511

IUPAC[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone
SMILESCc1ccc(OCc2cc(C(=O)N3C[C@H](O)C[C@@H](O)C3)oc2C)cc1
InChIInChI=1S/C19H23NO5/c1-12-3-5-17(6-4-12)24-11-14-7-18(25-13(14)2)19(23)20-9-15(21)8-16(22)10-20/h3-7,15-16,21-22H,8-11H2,1-2H3/t15-,16-/m1/s1
InChIKeyODUHXBDGPGOIMR-HZPDHXFCSA-N
MW345.39 g/mol
LogP2.04
Rot. Bonds4

About [(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone

[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone (PubChem CID 163317511) has the molecular formula C19H23NO5 and a molecular weight of 345.39 g/mol. Its IUPAC name is [(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone
PubChem CID163317511
Molecular FormulaC19H23NO5
Molecular Weight345.39 g/mol
Exact Mass345.16
IUPAC Name[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone
SMILESCc1ccc(OCc2cc(C(=O)N3C[C@H](O)C[C@@H](O)C3)oc2C)cc1
InChIInChI=1S/C19H23NO5/c1-12-3-5-17(6-4-12)24-11-14-7-18(25-13(14)2)19(23)20-9-15(21)8-16(22)10-20/h3-7,15-16,21-22H,8-11H2,1-2H3/t15-,16-/m1/s1
InChIKeyODUHXBDGPGOIMR-HZPDHXFCSA-N
XLogP2.04
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone with MolForge

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Related Compounds

(1S,5R)-7-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-carbonyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 157019557
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone
CID 157013076
[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157016662
5-methyl-4-[(4-phenoxyphenoxy)methyl]furan-2-carboxylic acid
CID 22685896
[3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 90650534
5-methyl-4-[[6-(4-methylphenyl)-3-pyridinyl]oxymethyl]furan-2-carboxylic acid
CID 142927254
4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62273259
[4-(chloromethyl)-5-methylfuran-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 82108555
4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
CID 63575000
1-[(6R)-6-hydroxy-4-[2-[(4-methylphenoxy)methyl]furan-3-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 125157280
1-[6-hydroxy-4-[2-[(4-methylphenoxy)methyl]furan-3-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 118769800
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-5-methylfuran-2-carbohydrazide
CID 63575043

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of [(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone (CID 163317511) is [(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for [(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for [(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone is Cc1ccc(OCc2cc(C(=O)N3C[C@H](O)C[C@@H](O)C3)oc2C)cc1.
What is the InChIKey of [(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone?
The InChIKey is ODUHXBDGPGOIMR-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H23NO5/c1-12-3-5-17(6-4-12)24-11-14-7-18(25-13(14)2)19(23)20-9-15(21)8-16(22)10-20/h3-7,15-16,21-22H,8-11H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of [(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone?
[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone has a molecular weight of 345.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 163317511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).