N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide

C18H26N4O3 — CID 102602935

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC1CC(C)CN(CCNC(=O)CCc2nc(-c3ccoc3)no2)C1
InChIInChI=1S/C18H26N4O3/c1-13-9-14(2)11-22(10-13)7-6-19-16(23)3-4-17-20-18(21-25-17)15-5-8-24-12-15/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3,(H,19,23)
InChIKeyJGQZIMTZAWLUDF-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.36
Rot. Bonds7

About N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 102602935) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID102602935
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC1CC(C)CN(CCNC(=O)CCc2nc(-c3ccoc3)no2)C1
InChIInChI=1S/C18H26N4O3/c1-13-9-14(2)11-22(10-13)7-6-19-16(23)3-4-17-20-18(21-25-17)15-5-8-24-12-15/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3,(H,19,23)
InChIKeyJGQZIMTZAWLUDF-UHFFFAOYSA-N
XLogP2.36
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55742229
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 15998462
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55526537
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-piperidin-3-ylethyl)propanamide
CID 119555415
N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 120652436
2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119225155
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 124589224
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-(2-morpholin-4-ylethyl)propanamide
CID 43067273
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 55931412
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 42933434
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488103

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 102602935) is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide is CC1CC(C)CN(CCNC(=O)CCc2nc(-c3ccoc3)no2)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is JGQZIMTZAWLUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-9-14(2)11-22(10-13)7-6-19-16(23)3-4-17-20-18(21-25-17)15-5-8-24-12-15/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 346.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 102602935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).