N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine

C18H26N4O2 — CID 119933143

IUPACN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine
SMILESCCCN(Cc1nc(-c2ccc(OC)cc2)no1)C1CCNCC1
InChIInChI=1S/C18H26N4O2/c1-3-12-22(15-8-10-19-11-9-15)13-17-20-18(21-24-17)14-4-6-16(23-2)7-5-14/h4-7,15,19H,3,8-13H2,1-2H3
InChIKeyGYYVTGAYKIWKGQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.71
Rot. Bonds7

About N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine (PubChem CID 119933143) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine
PubChem CID119933143
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine
SMILESCCCN(Cc1nc(-c2ccc(OC)cc2)no1)C1CCNCC1
InChIInChI=1S/C18H26N4O2/c1-3-12-22(15-8-10-19-11-9-15)13-17-20-18(21-24-17)14-4-6-16(23-2)7-5-14/h4-7,15,19H,3,8-13H2,1-2H3
InChIKeyGYYVTGAYKIWKGQ-UHFFFAOYSA-N
XLogP2.71
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine
CID 63301628
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide
CID 119824065
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607543
tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 174713468
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443994
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913209
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dipropylacetamide
CID 110416420
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
N-piperidin-4-yl-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119823978
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanecarboxamide
CID 6464149
5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888719
N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43607304

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine (CID 119933143) is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine is CCCN(Cc1nc(-c2ccc(OC)cc2)no1)C1CCNCC1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine?
The InChIKey is GYYVTGAYKIWKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-12-22(15-8-10-19-11-9-15)13-17-20-18(21-24-17)14-4-6-16(23-2)7-5-14/h4-7,15,19H,3,8-13H2,1-2H3.
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine?
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine has a molecular weight of 330.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 119933143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).