1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid

C15H22N2O4 — CID 63125770

IUPAC1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C15H22N2O4/c1-4-5-15(14(19)20)6-8-17(9-7-15)13(18)12-10(2)16-21-11(12)3/h4-9H2,1-3H3,(H,19,20)
InChIKeyMKFLSKFTOHJVPP-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.40
Rot. Bonds4

About 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid

1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63125770) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63125770
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C15H22N2O4/c1-4-5-15(14(19)20)6-8-17(9-7-15)13(18)12-10(2)16-21-11(12)3/h4-9H2,1-3H3,(H,19,20)
InChIKeyMKFLSKFTOHJVPP-UHFFFAOYSA-N
XLogP2.40
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 43522115
1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125678
4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014888
1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125102
3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]propanoic acid
CID 62215789
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71706126
(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92605188
1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125093

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid (CID 63125770) is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)c2c(C)noc2C)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is MKFLSKFTOHJVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-5-15(14(19)20)6-8-17(9-7-15)13(18)12-10(2)16-21-11(12)3/h4-9H2,1-3H3,(H,19,20).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid?
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).