1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C14H21N3O4 — CID 122102685

IUPAC1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCc1onc(C)c1NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C14H21N3O4/c1-4-11-12(9(3)16-21-11)15-14(20)17-6-8(2)5-10(7-17)13(18)19/h8,10H,4-7H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyRYVPBZZWANRLKB-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.12
Rot. Bonds3

About 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122102685) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122102685
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCc1onc(C)c1NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C14H21N3O4/c1-4-11-12(9(3)16-21-11)15-14(20)17-6-8(2)5-10(7-17)13(18)19/h8,10H,4-7H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyRYVPBZZWANRLKB-UHFFFAOYSA-N
XLogP2.12
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101857
1-[(3-chloro-2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101876
1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102415
(3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 124514067
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123826
5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102727
1-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102744
1-[(2-methoxy-6-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102972
1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103250
1-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102953
1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 166238376

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122102685) is 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is CCc1onc(C)c1NC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is RYVPBZZWANRLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-11-12(9(3)16-21-11)15-14(20)17-6-8(2)5-10(7-17)13(18)19/h8,10H,4-7H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122102685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).