4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid

C17H18N2O4 — CID 22240981

IUPAC4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccno1)N1CCC(Cc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C17H18N2O4/c20-15(14-6-9-18-23-14)19-10-7-17(8-11-19,16(21)22)12-13-4-2-1-3-5-13/h1-6,9H,7-8,10-12H2,(H,21,22)
InChIKeyUPKHAOYNRLAFQN-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.22
Rot. Bonds4

About 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid

4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 22240981) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID22240981
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccno1)N1CCC(Cc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C17H18N2O4/c20-15(14-6-9-18-23-14)19-10-7-17(8-11-19,16(21)22)12-13-4-2-1-3-5-13/h1-6,9H,7-8,10-12H2,(H,21,22)
InChIKeyUPKHAOYNRLAFQN-UHFFFAOYSA-N
XLogP2.22
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 22240559
1-benzylcyclopropane-1-carboxylic acid
CID 562561
4-benzyl-1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid
CID 22240872
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 22240726
3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 43522114
N-methyl-8-(1,2-oxazole-5-carbonyl)-8-azaspiro[4.5]decane-3-carboxamide
CID 134070327
1-benzyl-3-(2-methoxyethyl)-8-(1,2-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428107
(10,10-difluoro-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl)-(1,2-oxazol-5-yl)methanone
CID 134077534
4-benzylpiperidine-4-carboxylic acid
CID 18365178
2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62317773
4-benzyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid
CID 22240979

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid (CID 22240981) is 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid is O=C(c1ccno1)N1CCC(Cc2ccccc2)(C(=O)O)CC1.
What is the InChIKey of 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is UPKHAOYNRLAFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15(14-6-9-18-23-14)19-10-7-17(8-11-19,16(21)22)12-13-4-2-1-3-5-13/h1-6,9H,7-8,10-12H2,(H,21,22).
What are the key properties of 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 22240981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).