(2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid

C18H20N2O4 — CID 95291447

IUPAC(2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid
SMILESCc1noc(C)c1CN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccccc1
InChIInChI=1S/C18H20N2O4/c1-11-15(12(2)24-19-11)10-20-16(21)9-8-14(18(22)23)17(20)13-6-4-3-5-7-13/h3-7,14,17H,8-10H2,1-2H3,(H,22,23)/t14-,17+/m1/s1
InChIKeyVROIODMZJIVZLU-PBHICJAKSA-N
MW328.37 g/mol
LogP2.86
Rot. Bonds4

About (2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid

(2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid (PubChem CID 95291447) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid
PubChem CID95291447
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid
SMILESCc1noc(C)c1CN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccccc1
InChIInChI=1S/C18H20N2O4/c1-11-15(12(2)24-19-11)10-20-16(21)9-8-14(18(22)23)17(20)13-6-4-3-5-7-13/h3-7,14,17H,8-10H2,1-2H3,(H,22,23)/t14-,17+/m1/s1
InChIKeyVROIODMZJIVZLU-PBHICJAKSA-N
XLogP2.86
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

(2S,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 95291470
(2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxo-2-thiophen-3-ylpyrrolidine-3-carboxylic acid
CID 95332145
1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 102549060
(2R,3S)-6-oxo-2-pyridin-3-yl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 95291784
(2R,3S)-5-oxo-2-phenyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 95311589
(2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
CID 95301325
(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
CID 101404403
1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86950512
trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97314365
2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid
CID 104823678
(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 95311627
(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 133112601

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid (CID 95291447) is (2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid is Cc1noc(C)c1CN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The InChIKey is VROIODMZJIVZLU-PBHICJAKSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-15(12(2)24-19-11)10-20-16(21)9-8-14(18(22)23)17(20)13-6-4-3-5-7-13/h3-7,14,17H,8-10H2,1-2H3,(H,22,23)/t14-,17+/m1/s1.
What are the key properties of (2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid?
(2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxylic acid is sourced from PubChem (CID 95291447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).