4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide

C21H30N4O3 — CID 119824065

IUPAC4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide
SMILESCCCN(C(=O)CCCc1nc(-c2ccc(OC)cc2)no1)C1CCNCC1
InChIInChI=1S/C21H30N4O3/c1-3-15-25(17-11-13-22-14-12-17)20(26)6-4-5-19-23-21(24-28-19)16-7-9-18(27-2)10-8-16/h7-10,17,22H,3-6,11-15H2,1-2H3
InChIKeyORTBEBHKZCXAAH-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.06
Rot. Bonds9

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

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide (PubChem CID 119824065) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide
PubChem CID119824065
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide
SMILESCCCN(C(=O)CCCc1nc(-c2ccc(OC)cc2)no1)C1CCNCC1
InChIInChI=1S/C21H30N4O3/c1-3-15-25(17-11-13-22-14-12-17)20(26)6-4-5-19-23-21(24-28-19)16-7-9-18(27-2)10-8-16/h7-10,17,22H,3-6,11-15H2,1-2H3
InChIKeyORTBEBHKZCXAAH-UHFFFAOYSA-N
XLogP3.06
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-piperidin-4-yl-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119823978
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443994
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine
CID 119933143
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825840
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825839
2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid
CID 119195233
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18092733
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine
CID 63301628
N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide
CID 55881198
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dipropylacetamide
CID 110416420
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448
N-cyclohexyl-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83285265

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide (CID 119824065) is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide is CCCN(C(=O)CCCc1nc(-c2ccc(OC)cc2)no1)C1CCNCC1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide?
The InChIKey is ORTBEBHKZCXAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-3-15-25(17-11-13-22-14-12-17)20(26)6-4-5-19-23-21(24-28-19)16-7-9-18(27-2)10-8-16/h7-10,17,22H,3-6,11-15H2,1-2H3.
What are the key properties of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide?
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide has a molecular weight of 386.50 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide is sourced from PubChem (CID 119824065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).