2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C20H30N4O2 — CID 136539097

IUPAC2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCN(C)c1noc(C2CCCN(C(=O)C3C4CC5CC(C4)CC3C5)C2)n1
InChIInChI=1S/C20H30N4O2/c1-23(2)20-21-18(26-22-20)14-4-3-5-24(11-14)19(25)17-15-7-12-6-13(9-15)10-16(17)8-12/h12-17H,3-11H2,1-2H3
InChIKeyKTDPGWJYQWCYKW-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.91
Rot. Bonds3

About 2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 136539097) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID136539097
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCN(C)c1noc(C2CCCN(C(=O)C3C4CC5CC(C4)CC3C5)C2)n1
InChIInChI=1S/C20H30N4O2/c1-23(2)20-21-18(26-22-20)14-4-3-5-24(11-14)19(25)17-15-7-12-6-13(9-15)10-16(17)8-12/h12-17H,3-11H2,1-2H3
InChIKeyKTDPGWJYQWCYKW-UHFFFAOYSA-N
XLogP2.91
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 75481436
[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 99841425
trans-(1S,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131677
cis-(1R,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131675
(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide
CID 97193337
1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 99788273
(1S,4R)-4-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobut-2-ene-1-carboxylic acid
CID 167977364
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97190483
(1R,6S)-6-[(3R)-3-(3-propyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 124871162
cyclopropyl-[(3S)-3-[3-[(1S)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 124737955
2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 126788774
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of 2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 136539097) is 2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for 2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is CN(C)c1noc(C2CCCN(C(=O)C3C4CC5CC(C4)CC3C5)C2)n1.
What is the InChIKey of 2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is KTDPGWJYQWCYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-23(2)20-21-18(26-22-20)14-4-3-5-24(11-14)19(25)17-15-7-12-6-13(9-15)10-16(17)8-12/h12-17H,3-11H2,1-2H3.
What are the key properties of 2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 358.49 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 136539097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).