1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone

C19H33NO4 — CID 121479745

IUPAC1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone
SMILESCC(=O)[C@@H]1CCCCN1C(=O)C[C@]1(O)OC(C(C)C)C(C)C[C@H]1C
InChIInChI=1S/C19H33NO4/c1-12(2)18-13(3)10-14(4)19(23,24-18)11-17(22)20-9-7-6-8-16(20)15(5)21/h12-14,16,18,23H,6-11H2,1-5H3/t13?,14-,16+,18?,19+/m1/s1
InChIKeyFFCKWIVPTZKVAF-IVFYQIKXSA-N
MW339.48 g/mol
LogP2.75
Rot. Bonds4

About 1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone

1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone (PubChem CID 121479745) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone
PubChem CID121479745
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Name1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone
SMILESCC(=O)[C@@H]1CCCCN1C(=O)C[C@]1(O)OC(C(C)C)C(C)C[C@H]1C
InChIInChI=1S/C19H33NO4/c1-12(2)18-13(3)10-14(4)19(23,24-18)11-17(22)20-9-7-6-8-16(20)15(5)21/h12-14,16,18,23H,6-11H2,1-5H3/t13?,14-,16+,18?,19+/m1/s1
InChIKeyFFCKWIVPTZKVAF-IVFYQIKXSA-N
XLogP2.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(2S)-1-[2-[(2S,3R)-6-ethyl-2-hydroxy-3,5-dimethyloxan-2-yl]acetyl]piperidine-2-carboxylic acid
CID 155264333
[(4E,6E)-7-(4-hydroxy-5-methoxycyclohex-2-en-1-yl)-2,4,6-trimethylhepta-4,6-dien-3-yl] 1-[2-[2-hydroxy-5-(iodomethyl)-3-methyl-6-propan-2-yloxan-2-yl]acetyl]piperidine-2-carboxylate
CID 167061958
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423
1-[2-[2-hydroxy-6-[2-hydroxy-10-(4-hydroxycyclohexyl)-3,9-dimethyldeca-3,5,7-trienyl]-3-methyloxan-2-yl]acetyl]piperidine-2-carboxylic acid
CID 123601545
1-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-methylhexane-1,4-dione
CID 138721650
[(5E,7E,9E)-1-(4-hydroxycyclohexyl)dodeca-5,7,9-trien-3-yl] 1-[2-(2-hydroxy-3-methyloxan-2-yl)acetyl]piperidine-2-carboxylate
CID 144771647
1-[(2S)-2-acetylpyrrolidin-1-yl]propane-1,2-dione
CID 59063523
(2S)-1-[2-[(2R,3R)-6-ethyl-2-hydroxy-3,5-dimethyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 154954404
1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 58171936
1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene
CID 142110127
1-[(2S)-2-acetylpyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 163976262

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone?
The IUPAC name of 1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone (CID 121479745) is 1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone is CC(=O)[C@@H]1CCCCN1C(=O)C[C@]1(O)OC(C(C)C)C(C)C[C@H]1C.
What is the InChIKey of 1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone?
The InChIKey is FFCKWIVPTZKVAF-IVFYQIKXSA-N. The full InChI is InChI=1S/C19H33NO4/c1-12(2)18-13(3)10-14(4)19(23,24-18)11-17(22)20-9-7-6-8-16(20)15(5)21/h12-14,16,18,23H,6-11H2,1-5H3/t13?,14-,16+,18?,19+/m1/s1.
What are the key properties of 1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone?
1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone has a molecular weight of 339.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-acetylpiperidin-1-yl]-2-[(2S,3R)-2-hydroxy-3,5-dimethyl-6-propan-2-yloxan-2-yl]ethanone is sourced from PubChem (CID 121479745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).