4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid

C17H19N3O3 — CID 141081813

IUPAC4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid
SMILESC/C(=C\c1ccccc1)c1nnc(C2CCN(C(=O)O)CC2)o1
InChIInChI=1S/C17H19N3O3/c1-12(11-13-5-3-2-4-6-13)15-18-19-16(23-15)14-7-9-20(10-8-14)17(21)22/h2-6,11,14H,7-10H2,1H3,(H,21,22)/b12-11+
InChIKeyYWFJRDSVDMIOMY-VAWYXSNFSA-N
MW313.36 g/mol
LogP3.49
Rot. Bonds3

About 4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid

4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 141081813) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid
PubChem CID141081813
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid
SMILESC/C(=C\c1ccccc1)c1nnc(C2CCN(C(=O)O)CC2)o1
InChIInChI=1S/C17H19N3O3/c1-12(11-13-5-3-2-4-6-13)15-18-19-16(23-15)14-7-9-20(10-8-14)17(21)22/h2-6,11,14H,7-10H2,1H3,(H,21,22)/b12-11+
InChIKeyYWFJRDSVDMIOMY-VAWYXSNFSA-N
XLogP3.49
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-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

2-methoxy-1-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 51137734
1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963272
N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide
CID 39580719
1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963248
benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 19029125
CID 59774594
CID 59774594
methyl 1-(2-methyl-3-phenylprop-2-enoyl)piperidine-4-carboxylate
CID 889257
1-[4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 159726527
4-[5-[4-(N-methyl-C-methylsulfanylcarbonimidoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid
CID 175038553
4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 90539912
4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 9189319
(Z)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(furan-2-yl)prop-2-enoic acid
CID 35752897

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid (CID 141081813) is 4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid is C/C(=C\c1ccccc1)c1nnc(C2CCN(C(=O)O)CC2)o1.
What is the InChIKey of 4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is YWFJRDSVDMIOMY-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(11-13-5-3-2-4-6-13)15-18-19-16(23-15)14-7-9-20(10-8-14)17(21)22/h2-6,11,14H,7-10H2,1H3,(H,21,22)/b12-11+.
What are the key properties of 4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid?
4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-1-phenylprop-1-en-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141081813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).