[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone

C20H31NO4 — CID 72889049

IUPAC[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
SMILESCc1oc(C(C)C)cc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1
InChIInChI=1S/C20H31NO4/c1-13(2)18-11-17(15(4)25-18)19(22)21-8-7-20(23,14(3)12-21)16-5-9-24-10-6-16/h11,13-14,16,23H,5-10,12H2,1-4H3/t14-,20+/m1/s1
InChIKeyTZXCODGEUNNSFZ-VLIAUNLRSA-N
MW349.47 g/mol
LogP3.35
Rot. Bonds3

About [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone

[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone (PubChem CID 72889049) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
PubChem CID72889049
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Name[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
SMILESCc1oc(C(C)C)cc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1
InChIInChI=1S/C20H31NO4/c1-13(2)18-11-17(15(4)25-18)19(22)21-8-7-20(23,14(3)12-21)16-5-9-24-10-6-16/h11,13-14,16,23H,5-10,12H2,1-4H3/t14-,20+/m1/s1
InChIKeyTZXCODGEUNNSFZ-VLIAUNLRSA-N
XLogP3.35
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
CID 72840549
[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
CID 133121607
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
CID 72883504
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
CID 156607362
[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 72870061
2-(4-fluoro-3-methylphenyl)-1-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]ethanone
CID 156605299
3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56899532
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72864225
1-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 156603880
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 70725070
(4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207241
(2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97133757

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone?
The IUPAC name of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone (CID 72889049) is [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone.
What is the SMILES notation for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone?
The canonical SMILES for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone is Cc1oc(C(C)C)cc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1.
What is the InChIKey of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone?
The InChIKey is TZXCODGEUNNSFZ-VLIAUNLRSA-N. The full InChI is InChI=1S/C20H31NO4/c1-13(2)18-11-17(15(4)25-18)19(22)21-8-7-20(23,14(3)12-21)16-5-9-24-10-6-16/h11,13-14,16,23H,5-10,12H2,1-4H3/t14-,20+/m1/s1.
What are the key properties of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone?
[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone has a molecular weight of 349.47 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone is sourced from PubChem (CID 72889049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).