[2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C20H28N4O3 — CID 126810773

IUPAC[2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCC(C)COc1ncccc1C(=O)N1CCC(c2noc(C(C)C)n2)CC1
InChIInChI=1S/C20H28N4O3/c1-13(2)12-26-19-16(6-5-9-21-19)20(25)24-10-7-15(8-11-24)17-22-18(14(3)4)27-23-17/h5-6,9,13-15H,7-8,10-12H2,1-4H3
InChIKeyLDLLWTQUJFOFBO-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.64
Rot. Bonds6

About [2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

[2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 126810773) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is [2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID126810773
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name[2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCC(C)COc1ncccc1C(=O)N1CCC(c2noc(C(C)C)n2)CC1
InChIInChI=1S/C20H28N4O3/c1-13(2)12-26-19-16(6-5-9-21-19)20(25)24-10-7-15(8-11-24)17-22-18(14(3)4)27-23-17/h5-6,9,13-15H,7-8,10-12H2,1-4H3
InChIKeyLDLLWTQUJFOFBO-UHFFFAOYSA-N
XLogP3.64
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone
CID 110932062
(2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110132803
[2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 126808666
(2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590146
N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 126798032
(2-ethoxy-3-pyridinyl)-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124949318
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
(2-methoxy-3-pyridinyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098437
1H-indazol-7-yl-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734887
[2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 74244180
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea
CID 126777375
2-methyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-3,4-dihydroisoquinolin-1-one
CID 126812858

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 126810773) is [2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is CC(C)COc1ncccc1C(=O)N1CCC(c2noc(C(C)C)n2)CC1.
What is the InChIKey of [2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is LDLLWTQUJFOFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-13(2)12-26-19-16(6-5-9-21-19)20(25)24-10-7-15(8-11-24)17-22-18(14(3)4)27-23-17/h5-6,9,13-15H,7-8,10-12H2,1-4H3.
What are the key properties of [2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
[2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126810773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).