N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide

C21H36N2O2 — CID 156541846

IUPACN-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide
SMILESCCC(C)C12CCC(NC(=O)C3CCN(C4COC4)CC3)(CC1)CC2
InChIInChI=1S/C21H36N2O2/c1-3-16(2)20-6-9-21(10-7-20,11-8-20)22-19(24)17-4-12-23(13-5-17)18-14-25-15-18/h16-18H,3-15H2,1-2H3,(H,22,24)
InChIKeyCTDHVNCEQJLADX-UHFFFAOYSA-N
MW348.53 g/mol
LogP3.35
Rot. Bonds5

About N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide

N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide (PubChem CID 156541846) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide
PubChem CID156541846
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC NameN-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide
SMILESCCC(C)C12CCC(NC(=O)C3CCN(C4COC4)CC3)(CC1)CC2
InChIInChI=1S/C21H36N2O2/c1-3-16(2)20-6-9-21(10-7-20,11-8-20)22-19(24)17-4-12-23(13-5-17)18-14-25-15-18/h16-18H,3-15H2,1-2H3,(H,22,24)
InChIKeyCTDHVNCEQJLADX-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[1-(oxetan-3-yl)piperidin-4-yl]propanamide
CID 170412033
[2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate
CID 153377376
ethyl 7-(4-ethoxycarbonylpiperidin-1-yl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;ethyl piperidine-4-carboxylate;1-methylcyclobutan-1-amine;hydrochloride
CID 159666252
ethane;1-(oxetan-3-yl)-4-propylpiperidine
CID 144662660
2,2-dimethyl-N-[1-(oxetan-3-yl)piperidin-4-yl]butanamide
CID 155022127
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79905880
ethane;4-methyl-1-(oxetan-3-yl)piperidine
CID 145049644
4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 145419843
ethane;1-(oxetan-3-yl)piperidine
CID 170574433
N-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide
CID 167244452
ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate
CID 95355404
8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083724

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide (CID 156541846) is N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide is CCC(C)C12CCC(NC(=O)C3CCN(C4COC4)CC3)(CC1)CC2.
What is the InChIKey of N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide?
The InChIKey is CTDHVNCEQJLADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c1-3-16(2)20-6-9-21(10-7-20,11-8-20)22-19(24)17-4-12-23(13-5-17)18-14-25-15-18/h16-18H,3-15H2,1-2H3,(H,22,24).
What are the key properties of N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide?
N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide has a molecular weight of 348.53 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 156541846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).