2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid

C14H17NO3 — CID 164752640

IUPAC2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid
SMILESC[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)C(=O)O
InChIInChI=1S/C14H17NO3/c1-10-6-5-9-12(11-7-3-2-4-8-11)15(10)13(16)14(17)18/h2-4,7-8,10,12H,5-6,9H2,1H3,(H,17,18)/t10-,12-/m1/s1
InChIKeyIMILXWJOFCKFMA-ZYHUDNBSSA-N
MW247.29 g/mol
LogP2.21
Rot. Bonds1

About 2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid

2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid (PubChem CID 164752640) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid
PubChem CID164752640
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid
SMILESC[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)C(=O)O
InChIInChI=1S/C14H17NO3/c1-10-6-5-9-12(11-7-3-2-4-8-11)15(10)13(16)14(17)18/h2-4,7-8,10,12H,5-6,9H2,1H3,(H,17,18)/t10-,12-/m1/s1
InChIKeyIMILXWJOFCKFMA-ZYHUDNBSSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

sodium;1-[(2S,6S)-2-methyl-6-phenylpiperidin-1-yl]ethane-1,2-dione;hydroxide
CID 164753404
[(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 96535829
N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetamide
CID 164752907
(7R)-1-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-7-phenyl-1,4-diazepan-5-one
CID 97092180
N-benzyl-2,6-dimethylpiperidine-1-carboxamide
CID 110755036
2-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]ethanone
CID 98773772
1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate
CID 19967950
lithium 2-(2,3-dimethyl-6-phenylpiperidin-1-yl)-2-oxoacetate
CID 164753715
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 40599711
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 2355289
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 2355287
(E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 5371862

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid?
The IUPAC name of 2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid (CID 164752640) is 2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid is C[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)C(=O)O.
What is the InChIKey of 2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid?
The InChIKey is IMILXWJOFCKFMA-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-6-5-9-12(11-7-3-2-4-8-11)15(10)13(16)14(17)18/h2-4,7-8,10,12H,5-6,9H2,1H3,(H,17,18)/t10-,12-/m1/s1.
What are the key properties of 2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid?
2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid has a molecular weight of 247.29 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid is sourced from PubChem (CID 164752640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).