3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone

C15H26N2O2 — CID 114428837

IUPAC3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone
SMILESCCC1CCNC(C(=O)N2CCOC3CCCC32)C1
InChIInChI=1S/C15H26N2O2/c1-2-11-6-7-16-12(10-11)15(18)17-8-9-19-14-5-3-4-13(14)17/h11-14,16H,2-10H2,1H3
InChIKeyVGPIUZGEOZWWRF-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.54
Rot. Bonds2

About 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone (PubChem CID 114428837) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone
PubChem CID114428837
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone
SMILESCCC1CCNC(C(=O)N2CCOC3CCCC32)C1
InChIInChI=1S/C15H26N2O2/c1-2-11-6-7-16-12(10-11)15(18)17-8-9-19-14-5-3-4-13(14)17/h11-14,16H,2-10H2,1H3
InChIKeyVGPIUZGEOZWWRF-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-methylpiperidin-2-yl)methanone
CID 114423452
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(pyrrolidin-2-yl)methanone
CID 60793290
methyl 1-(4-ethylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114428408
(4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428788
(4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 114429600
(2,5-dimethylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114429194
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80550016
(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428893
methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate
CID 114428609
(5R)-5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)pyrrolidin-2-one
CID 126800408
1-(4-ethylpiperidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976061
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(cyclopropyl)methanone
CID 52985742

Frequently Asked Questions

What is the IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone?
The IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone (CID 114428837) is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone.
What is the SMILES notation for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone?
The canonical SMILES for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone is CCC1CCNC(C(=O)N2CCOC3CCCC32)C1.
What is the InChIKey of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone?
The InChIKey is VGPIUZGEOZWWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-11-6-7-16-12(10-11)15(18)17-8-9-19-14-5-3-4-13(14)17/h11-14,16H,2-10H2,1H3.
What are the key properties of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone?
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone has a molecular weight of 266.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone is sourced from PubChem (CID 114428837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).