1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride

C16H20ClN3O3 — CID 119907313

IUPAC1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCC(c1nc(-c2ccccc2)no1)N1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-11(19-9-7-13(8-10-19)16(20)21)15-17-14(18-22-15)12-5-3-2-4-6-12;/h2-6,11,13H,7-10H2,1H3,(H,20,21);1H
InChIKeyANXXCDSOVBLLSY-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.02
Rot. Bonds4

About 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride

1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 119907313) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID119907313
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCC(c1nc(-c2ccccc2)no1)N1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-11(19-9-7-13(8-10-19)16(20)21)15-17-14(18-22-15)12-5-3-2-4-6-12;/h2-6,11,13H,7-10H2,1H3,(H,20,21);1H
InChIKeyANXXCDSOVBLLSY-UHFFFAOYSA-N
XLogP3.02
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)-[1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
CID 87034801
N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 94651886
5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 94513017
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetic acid
CID 119924431
[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119857090
3-phenyl-5-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 40897910
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55432670
3-amino-2-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 120503166
2-methyl-3-(methylamino)-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119857124
N-phenyl-1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 86913250
4-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 55682874
(2S)-2-amino-4-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119857144

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride (CID 119907313) is 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride is CC(c1nc(-c2ccccc2)no1)N1CCC(C(=O)O)CC1.Cl.
What is the InChIKey of 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is ANXXCDSOVBLLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c1-11(19-9-7-13(8-10-19)16(20)21)15-17-14(18-22-15)12-5-3-2-4-6-12;/h2-6,11,13H,7-10H2,1H3,(H,20,21);1H.
What are the key properties of 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride?
1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 119907313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).