(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid

C15H22N2O4 — CID 129381236

IUPAC(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
SMILESCCc1noc(CC)c1CC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H22N2O4/c1-3-12-11(13(4-2)21-16-12)8-14(18)17-7-5-6-10(9-17)15(19)20/h10H,3-9H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyDYDKCEPUVLEMMA-JTQLQIEISA-N
MW294.35 g/mol
LogP1.67
Rot. Bonds5

About (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid

(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 129381236) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID129381236
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
SMILESCCc1noc(CC)c1CC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H22N2O4/c1-3-12-11(13(4-2)21-16-12)8-14(18)17-7-5-6-10(9-17)15(19)20/h10H,3-9H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyDYDKCEPUVLEMMA-JTQLQIEISA-N
XLogP1.67
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 124684647
1-(3-aminopiperidin-1-yl)-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 119378216
2-(3,5-diethyl-1,2-oxazol-4-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119488937
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 78996821
1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015374
1-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 129346840
(3S,4S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120949293
1-[(2S)-2-(aminomethyl)piperidin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 124573415
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
CID 119466989
2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
CID 75391503
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 124684633
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119136733

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid (CID 129381236) is (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid is CCc1noc(CC)c1CC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is DYDKCEPUVLEMMA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-12-11(13(4-2)21-16-12)8-14(18)17-7-5-6-10(9-17)15(19)20/h10H,3-9H2,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 129381236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).