[4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol

C21H28F3N5O2 — CID 118267214

IUPAC[4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
SMILESCc1noc(-c2cc(C(F)(F)F)cnc2N2CCC(NC3CCCCC3)C(CO)C2)n1
InChIInChI=1S/C21H28F3N5O2/c1-13-26-20(31-28-13)17-9-15(21(22,23)24)10-25-19(17)29-8-7-18(14(11-29)12-30)27-16-5-3-2-4-6-16/h9-10,14,16,18,27,30H,2-8,11-12H2,1H3
InChIKeySUYUFLMYGPXBBC-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.57
Rot. Bonds5

About [4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol

[4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol (PubChem CID 118267214) has the molecular formula C21H28F3N5O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is [4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
PubChem CID118267214
Molecular FormulaC21H28F3N5O2
Molecular Weight439.48 g/mol
Exact Mass439.22
IUPAC Name[4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
SMILESCc1noc(-c2cc(C(F)(F)F)cnc2N2CCC(NC3CCCCC3)C(CO)C2)n1
InChIInChI=1S/C21H28F3N5O2/c1-13-26-20(31-28-13)17-9-15(21(22,23)24)10-25-19(17)29-8-7-18(14(11-29)12-30)27-16-5-3-2-4-6-16/h9-10,14,16,18,27,30H,2-8,11-12H2,1H3
InChIKeySUYUFLMYGPXBBC-UHFFFAOYSA-N
XLogP3.57
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenyl]-N-(2-hydroxyethyl)propanamide
CID 44218906
(3S,4S)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol
CID 118264112
N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 25282110
((2S)-1-{5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-2-pyrrolidinyl)methanol
CID 25455986
(1-{5-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-2-piperidinyl)methanol
CID 45183809
3-(Methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45186809
[1-[5-[3-(2-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 45226955
2-[4-(5-{3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-YL}pyridin-2-YL)piperazin-1-YL]ethanol
CID 70724909
4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide
CID 71015532
4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71015612
N-cyclohexyl-3-methoxy-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine
CID 73296031
3-[2-({5-[3-(2-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}amino)ethyl]-1,3-oxazinan-2-one
CID 28230710

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of [4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol (CID 118267214) is [4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol.
What is the SMILES notation for [4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for [4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol is Cc1noc(-c2cc(C(F)(F)F)cnc2N2CCC(NC3CCCCC3)C(CO)C2)n1.
What is the InChIKey of [4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is SUYUFLMYGPXBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N5O2/c1-13-26-20(31-28-13)17-9-15(21(22,23)24)10-25-19(17)29-8-7-18(14(11-29)12-30)27-16-5-3-2-4-6-16/h9-10,14,16,18,27,30H,2-8,11-12H2,1H3.
What are the key properties of [4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol?
[4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 439.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol is sourced from PubChem (CID 118267214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).