1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one

C15H22N4O3 — CID 136578688

IUPAC1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESCc1noc(C2CCN(C(=O)C3CCN(C)C(=O)C3)CC2)n1
InChIInChI=1S/C15H22N4O3/c1-10-16-14(22-17-10)11-4-7-19(8-5-11)15(21)12-3-6-18(2)13(20)9-12/h11-12H,3-9H2,1-2H3
InChIKeyPSLKCBYSXXHGBW-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.95
Rot. Bonds2

About 1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one

1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 136578688) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID136578688
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESCc1noc(C2CCN(C(=O)C3CCN(C)C(=O)C3)CC2)n1
InChIInChI=1S/C15H22N4O3/c1-10-16-14(22-17-10)11-4-7-19(8-5-11)15(21)12-3-6-18(2)13(20)9-12/h11-12H,3-9H2,1-2H3
InChIKeyPSLKCBYSXXHGBW-UHFFFAOYSA-N
XLogP0.95
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 136578700
(4S)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 52693151
(4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 52735985
(2-cyclopropylcyclopropyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 71923599
4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 71801329
1,4-dioxan-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 47369855
(4R)-1-cyclopropyl-4-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 94526728
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 97315247
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95578540
(1-aminocyclopentyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119301188

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one (CID 136578688) is 1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one is Cc1noc(C2CCN(C(=O)C3CCN(C)C(=O)C3)CC2)n1.
What is the InChIKey of 1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is PSLKCBYSXXHGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-16-14(22-17-10)11-4-7-19(8-5-11)15(21)12-3-6-18(2)13(20)9-12/h11-12H,3-9H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one?
1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 306.37 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 136578688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).