N-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine

C19H29N5O4S — CID 71657206

IUPACN-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine
SMILESCC(C)c1noc(N2CCC(N(C)CCOc3ccc(S(C)(=O)=O)nc3)CC2)n1
InChIInChI=1S/C19H29N5O4S/c1-14(2)18-21-19(28-22-18)24-9-7-15(8-10-24)23(3)11-12-27-16-5-6-17(20-13-16)29(4,25)26/h5-6,13-15H,7-12H2,1-4H3
InChIKeySWWNCKCVFIYVAT-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.97
Rot. Bonds8

About N-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine

N-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine (PubChem CID 71657206) has the molecular formula C19H29N5O4S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine
PubChem CID71657206
Molecular FormulaC19H29N5O4S
Molecular Weight423.54 g/mol
Exact Mass423.19
IUPAC NameN-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine
SMILESCC(C)c1noc(N2CCC(N(C)CCOc3ccc(S(C)(=O)=O)nc3)CC2)n1
InChIInChI=1S/C19H29N5O4S/c1-14(2)18-21-19(28-22-18)24-9-7-15(8-10-24)23(3)11-12-27-16-5-6-17(20-13-16)29(4,25)26/h5-6,13-15H,7-12H2,1-4H3
InChIKeySWWNCKCVFIYVAT-UHFFFAOYSA-N
XLogP1.97
TPSA101.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[4-[(2R)-4-[(6-methylsulfonyl-3-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 68548914
N-[2-(3-fluoro-4-methylsulfonylphenoxy)ethyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 71657751
(5Z)-5-[[4-[2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 71656539
5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59177801
5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131984708
5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 69053566
5-[4-[1-[[5-(6-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985190
4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzoic acid
CID 59161816
5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59293910
5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 86662939
5-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 67616450
CID 87664540
CID 87664540

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine?
The IUPAC name of N-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine (CID 71657206) is N-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine?
The canonical SMILES for N-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine is CC(C)c1noc(N2CCC(N(C)CCOc3ccc(S(C)(=O)=O)nc3)CC2)n1.
What is the InChIKey of N-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine?
The InChIKey is SWWNCKCVFIYVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4S/c1-14(2)18-21-19(28-22-18)24-9-7-15(8-10-24)23(3)11-12-27-16-5-6-17(20-13-16)29(4,25)26/h5-6,13-15H,7-12H2,1-4H3.
What are the key properties of N-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine?
N-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine has a molecular weight of 423.54 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(6-methylsulfonyl-3-pyridinyl)oxy]ethyl]-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine is sourced from PubChem (CID 71657206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).