1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone

C16H25N5O3 — CID 95827574

IUPAC1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C)C[C@@H]1C(=O)N1CCC(c2noc(C)n2)CC1
InChIInChI=1S/C16H25N5O3/c1-11-17-15(18-24-11)13-4-6-20(7-5-13)16(23)14-10-19(3)8-9-21(14)12(2)22/h13-14H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyBIHMSARSVDRKDO-CQSZACIVSA-N
MW335.41 g/mol
LogP0.25
Rot. Bonds2

About 1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone

1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone (PubChem CID 95827574) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone
PubChem CID95827574
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C)C[C@@H]1C(=O)N1CCC(c2noc(C)n2)CC1
InChIInChI=1S/C16H25N5O3/c1-11-17-15(18-24-11)13-4-6-20(7-5-13)16(23)14-10-19(3)8-9-21(14)12(2)22/h13-14H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyBIHMSARSVDRKDO-CQSZACIVSA-N
XLogP0.25
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone
CID 95765308
[(2R)-1,2-dimethylpiperidin-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95827488
[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 96561469
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908
(2R)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934035
(2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934036
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72854779
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 146138655
(2-chloro-4-fluoro-5-methylphenyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 167953199
(1R,8R,9S)-8-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;hydrochloride
CID 171709797

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone (CID 95827574) is 1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C)C[C@@H]1C(=O)N1CCC(c2noc(C)n2)CC1.
What is the InChIKey of 1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is BIHMSARSVDRKDO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-11-17-15(18-24-11)13-4-6-20(7-5-13)16(23)14-10-19(3)8-9-21(14)12(2)22/h13-14H,4-10H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone?
1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 335.41 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95827574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).