[1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

C18H29N5O3 — CID 56868534

IUPAC[1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nc(N2CCC(N3CCCC(C(=O)N4CCOCC4)C3)CC2)no1
InChIInChI=1S/C18H29N5O3/c1-14-19-18(20-26-14)22-7-4-16(5-8-22)23-6-2-3-15(13-23)17(24)21-9-11-25-12-10-21/h15-16H,2-13H2,1H3
InChIKeyJCASYKVZJLFDDM-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.92
Rot. Bonds3

About [1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 56868534) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is [1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID56868534
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name[1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nc(N2CCC(N3CCCC(C(=O)N4CCOCC4)C3)CC2)no1
InChIInChI=1S/C18H29N5O3/c1-14-19-18(20-26-14)22-7-4-16(5-8-22)23-6-2-3-15(13-23)17(24)21-9-11-25-12-10-21/h15-16H,2-13H2,1H3
InChIKeyJCASYKVZJLFDDM-UHFFFAOYSA-N
XLogP0.92
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95563918
[(3R)-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95559782
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56864340
[(3R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95463751
[(3S)-1-[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95509656
[(3S)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95554392
[(3S)-1-[1-(2-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95551659
[(3S)-1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 96576947
N,N-dimethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 96582337
1-[6-[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 95445127
[(3R)-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95539383
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56880421

Frequently Asked Questions

What is the IUPAC name of [1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 56868534) is [1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is Cc1nc(N2CCC(N3CCCC(C(=O)N4CCOCC4)C3)CC2)no1.
What is the InChIKey of [1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is JCASYKVZJLFDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-14-19-18(20-26-14)22-7-4-16(5-8-22)23-6-2-3-15(13-23)17(24)21-9-11-25-12-10-21/h15-16H,2-13H2,1H3.
What are the key properties of [1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 363.46 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56868534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).