[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone

C17H28N4O3 — CID 94064055

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
SMILESCc1noc([C@H](C)N2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)n1
InChIInChI=1S/C17H28N4O3/c1-11-9-21(10-12(2)23-11)17(22)15-5-7-20(8-6-15)13(3)16-18-14(4)19-24-16/h11-13,15H,5-10H2,1-4H3/t11-,12+,13-/m0/s1
InChIKeyIHWYQOUKJZVKFB-XQQFMLRXSA-N
MW336.44 g/mol
LogP1.79
Rot. Bonds3

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone (PubChem CID 94064055) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
PubChem CID94064055
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
SMILESCc1noc([C@H](C)N2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)n1
InChIInChI=1S/C17H28N4O3/c1-11-9-21(10-12(2)23-11)17(22)15-5-7-20(8-6-15)13(3)16-18-14(4)19-24-16/h11-13,15H,5-10H2,1-4H3/t11-,12+,13-/m0/s1
InChIKeyIHWYQOUKJZVKFB-XQQFMLRXSA-N
XLogP1.79
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]methanone
CID 95579476
[(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 95299260
tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate
CID 95973700
[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94087324
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95158999
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(5-methylhexan-2-yl)piperidine-1-carboxamide
CID 78887959
2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94161851
cyclopentyl-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 94394067
N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 55832685
N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192555
N-[1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192550

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone (CID 94064055) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone is Cc1noc([C@H](C)N2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)n1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone?
The InChIKey is IHWYQOUKJZVKFB-XQQFMLRXSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-11-9-21(10-12(2)23-11)17(22)15-5-7-20(8-6-15)13(3)16-18-14(4)19-24-16/h11-13,15H,5-10H2,1-4H3/t11-,12+,13-/m0/s1.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 94064055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).