(3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine

C14H18N4O2 — CID 133121479

IUPAC(3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine
SMILESCO[C@@H]1CN(c2noc(-c3ccccc3)n2)CC[C@@H]1N
InChIInChI=1S/C14H18N4O2/c1-19-12-9-18(8-7-11(12)15)14-16-13(20-17-14)10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3/t11-,12+/m0/s1
InChIKeyMRMVXEOFFHHGHI-NWDGAFQWSA-N
MW274.32 g/mol
LogP1.29
Rot. Bonds3

About (3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine

(3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine (PubChem CID 133121479) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine
PubChem CID133121479
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine
SMILESCO[C@@H]1CN(c2noc(-c3ccccc3)n2)CC[C@@H]1N
InChIInChI=1S/C14H18N4O2/c1-19-12-9-18(8-7-11(12)15)14-16-13(20-17-14)10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3/t11-,12+/m0/s1
InChIKeyMRMVXEOFFHHGHI-NWDGAFQWSA-N
XLogP1.29
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
CID 133483076
(3aS,5R,6R,7aR)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 133112625
3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 118788409
[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481699
3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482280
2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
CID 133482694
3-[(1S,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 133129510
3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482061
3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482657
[(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70726029
3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482995

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine?
The IUPAC name of (3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine (CID 133121479) is (3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine.
What is the SMILES notation for (3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine?
The canonical SMILES for (3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine is CO[C@@H]1CN(c2noc(-c3ccccc3)n2)CC[C@@H]1N.
What is the InChIKey of (3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine?
The InChIKey is MRMVXEOFFHHGHI-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-12-9-18(8-7-11(12)15)14-16-13(20-17-14)10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3/t11-,12+/m0/s1.
What are the key properties of (3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine?
(3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine has a molecular weight of 274.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine is sourced from PubChem (CID 133121479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).