[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone

C19H27NO3 — CID 72877584

IUPAC[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CC[C@@](O)(C2CCC2)[C@H](C)C1
InChIInChI=1S/C19H27NO3/c1-3-23-17-10-5-4-9-16(17)18(21)20-12-11-19(22,14(2)13-20)15-7-6-8-15/h4-5,9-10,14-15,22H,3,6-8,11-13H2,1-2H3/t14-,19+/m1/s1
InChIKeyFDORMVXYABYSHM-KUHUBIRLSA-N
MW317.43 g/mol
LogP3.10
Rot. Bonds4

About [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone

[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone (PubChem CID 72877584) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
PubChem CID72877584
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CC[C@@](O)(C2CCC2)[C@H](C)C1
InChIInChI=1S/C19H27NO3/c1-3-23-17-10-5-4-9-16(17)18(21)20-12-11-19(22,14(2)13-20)15-7-6-8-15/h4-5,9-10,14-15,22H,3,6-8,11-13H2,1-2H3/t14-,19+/m1/s1
InChIKeyFDORMVXYABYSHM-KUHUBIRLSA-N
XLogP3.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041537
[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 72870061
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 40537881
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045
[3-(2-chloroethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 63395748
(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304464
(2-ethoxyphenyl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95304741
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
(2-ethoxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506351
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethoxyphenyl)methanone
CID 121022721

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone?
The IUPAC name of [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone (CID 72877584) is [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone.
What is the SMILES notation for [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone?
The canonical SMILES for [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)N1CC[C@@](O)(C2CCC2)[C@H](C)C1.
What is the InChIKey of [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone?
The InChIKey is FDORMVXYABYSHM-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-23-17-10-5-4-9-16(17)18(21)20-12-11-19(22,14(2)13-20)15-7-6-8-15/h4-5,9-10,14-15,22H,3,6-8,11-13H2,1-2H3/t14-,19+/m1/s1.
What are the key properties of [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone?
[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone has a molecular weight of 317.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 72877584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).