3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride

C15H21ClN4O3 — CID 177365517

IUPAC3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
SMILESCl.O=c1[nH]c(-c2ccc(OCCCN3CCCCC3)cn2)no1
InChIInChI=1S/C15H20N4O3.ClH/c20-15-17-14(18-22-15)13-6-5-12(11-16-13)21-10-4-9-19-7-2-1-3-8-19;/h5-6,11H,1-4,7-10H2,(H,17,18,20);1H
InChIKeyVCZPLJKYBCRCTQ-UHFFFAOYSA-N
MW340.81 g/mol
LogP2.10
Rot. Bonds6

About 3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride

3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride (PubChem CID 177365517) has the molecular formula C15H21ClN4O3 and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride.

Molecular Properties

Compound Name3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
PubChem CID177365517
Molecular FormulaC15H21ClN4O3
Molecular Weight340.81 g/mol
Exact Mass340.13
IUPAC Name3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
SMILESCl.O=c1[nH]c(-c2ccc(OCCCN3CCCCC3)cn2)no1
InChIInChI=1S/C15H20N4O3.ClH/c20-15-17-14(18-22-15)13-6-5-12(11-16-13)21-10-4-9-19-7-2-1-3-8-19;/h5-6,11H,1-4,7-10H2,(H,17,18,20);1H
InChIKeyVCZPLJKYBCRCTQ-UHFFFAOYSA-N
XLogP2.10
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365487
3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365359
3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 177365440
3-[5-(4-piperazin-1-ylbutoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365390
3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365479
3-[5-[4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)butoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365442
3-[5-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365457
3-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365451
3-[5-[3-(dimethylamino)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365430
3-[5-[[(3R)-1-ethylpiperidin-3-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365431
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole
CID 158164125

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride?
The IUPAC name of 3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride (CID 177365517) is 3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride.
What is the SMILES notation for 3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride?
The canonical SMILES for 3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride is Cl.O=c1[nH]c(-c2ccc(OCCCN3CCCCC3)cn2)no1.
What is the InChIKey of 3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride?
The InChIKey is VCZPLJKYBCRCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3.ClH/c20-15-17-14(18-22-15)13-6-5-12(11-16-13)21-10-4-9-19-7-2-1-3-8-19;/h5-6,11H,1-4,7-10H2,(H,17,18,20);1H.
What are the key properties of 3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride?
3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride is sourced from PubChem (CID 177365517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).