3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride

C15H21ClN4O4 — CID 177365440

IUPAC3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
SMILESCl.O=c1[nH]c(-c2ccc(OCCCN3CCC(O)CC3)cn2)no1
InChIInChI=1S/C15H20N4O4.ClH/c20-11-4-7-19(8-5-11)6-1-9-22-12-2-3-13(16-10-12)14-17-15(21)23-18-14;/h2-3,10-11,20H,1,4-9H2,(H,17,18,21);1H
InChIKeyNFTDZHHERXOMDL-UHFFFAOYSA-N
MW356.81 g/mol
LogP1.07
Rot. Bonds6

About 3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride

3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride (PubChem CID 177365440) has the molecular formula C15H21ClN4O4 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride.

Molecular Properties

Compound Name3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
PubChem CID177365440
Molecular FormulaC15H21ClN4O4
Molecular Weight356.81 g/mol
Exact Mass356.13
IUPAC Name3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
SMILESCl.O=c1[nH]c(-c2ccc(OCCCN3CCC(O)CC3)cn2)no1
InChIInChI=1S/C15H20N4O4.ClH/c20-11-4-7-19(8-5-11)6-1-9-22-12-2-3-13(16-10-12)14-17-15(21)23-18-14;/h2-3,10-11,20H,1,4-9H2,(H,17,18,21);1H
InChIKeyNFTDZHHERXOMDL-UHFFFAOYSA-N
XLogP1.07
TPSA104.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 177365517
3-[5-(3-morpholin-4-ylpropoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365359
3-[5-(4-piperazin-1-ylbutoxy)-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365390
3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365487
3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365479
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-[4-(9-oxa-2-azaspiro[5.5]undecan-2-yl)butoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365442
3-[5-[[(3R)-1-ethylpiperidin-3-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365431
3-[5-[[1-[(2-ethylphenyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365498
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
1-[3-(3-methylphenoxy)propyl]piperidin-4-ol
CID 39352208

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride?
The IUPAC name of 3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride (CID 177365440) is 3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride.
What is the SMILES notation for 3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride?
The canonical SMILES for 3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride is Cl.O=c1[nH]c(-c2ccc(OCCCN3CCC(O)CC3)cn2)no1.
What is the InChIKey of 3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride?
The InChIKey is NFTDZHHERXOMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4.ClH/c20-11-4-7-19(8-5-11)6-1-9-22-12-2-3-13(16-10-12)14-17-15(21)23-18-14;/h2-3,10-11,20H,1,4-9H2,(H,17,18,21);1H.
What are the key properties of 3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride?
3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride has a molecular weight of 356.81 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride is sourced from PubChem (CID 177365440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).