N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide

C22H24N6O4 — CID 91950727

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCc1noc(-c2cnc(C)nc2N2CCCC(C(=O)Nc3ccc4c(c3)OCCO4)C2)n1
InChIInChI=1S/C22H24N6O4/c1-13-23-11-17(22-25-14(2)27-32-22)20(24-13)28-7-3-4-15(12-28)21(29)26-16-5-6-18-19(10-16)31-9-8-30-18/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3,(H,26,29)
InChIKeyUHBMUJSERQVEMF-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.77
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 91950727) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID91950727
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCc1noc(-c2cnc(C)nc2N2CCCC(C(=O)Nc3ccc4c(c3)OCCO4)C2)n1
InChIInChI=1S/C22H24N6O4/c1-13-23-11-17(22-25-14(2)27-32-22)20(24-13)28-7-3-4-15(12-28)21(29)26-16-5-6-18-19(10-16)31-9-8-30-18/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3,(H,26,29)
InChIKeyUHBMUJSERQVEMF-UHFFFAOYSA-N
XLogP2.77
TPSA115.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide
CID 53165981
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085575
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085574
N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 91950711
N-(1,3-benzodioxol-5-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 20929390
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 91950746
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921246
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068908
N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91950637
(3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 99873086
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 133319012
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide
CID 91950743

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 91950727) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide is Cc1noc(-c2cnc(C)nc2N2CCCC(C(=O)Nc3ccc4c(c3)OCCO4)C2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is UHBMUJSERQVEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-13-23-11-17(22-25-14(2)27-32-22)20(24-13)28-7-3-4-15(12-28)21(29)26-16-5-6-18-19(10-16)31-9-8-30-18/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3,(H,26,29).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 91950727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).