3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide

C16H19ClN4O2 — CID 119386389

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
SMILESO=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC1CCNCC1
InChIInChI=1S/C16H19ClN4O2/c17-12-3-1-11(2-4-12)16-20-15(23-21-16)6-5-14(22)19-13-7-9-18-10-8-13/h1-4,13,18H,5-10H2,(H,19,22)
InChIKeyVXPPAOPWQICHMK-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.19
Rot. Bonds5

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide (PubChem CID 119386389) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
PubChem CID119386389
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
SMILESO=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC1CCNCC1
InChIInChI=1S/C16H19ClN4O2/c17-12-3-1-11(2-4-12)16-20-15(23-21-16)6-5-14(22)19-13-7-9-18-10-8-13/h1-4,13,18H,5-10H2,(H,19,22)
InChIKeyVXPPAOPWQICHMK-UHFFFAOYSA-N
XLogP2.19
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119389757
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide
CID 39896911
N-piperidin-3-yl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119425634
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445402
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-3-ylpropanamide
CID 119425088
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide
CID 9293283
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 8964239
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70763611
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(1,4-diazepan-1-yl)propan-1-one
CID 119414725
N-(1,1-dioxothiolan-3-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46559142

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide (CID 119386389) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide is O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC1CCNCC1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide?
The InChIKey is VXPPAOPWQICHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c17-12-3-1-11(2-4-12)16-20-15(23-21-16)6-5-14(22)19-13-7-9-18-10-8-13/h1-4,13,18H,5-10H2,(H,19,22).
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide has a molecular weight of 334.81 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 119386389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).