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

C16H28N2O2 — CID 63135439

IUPAC3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCOC3CCCC32)CCCNC1
InChIInChI=1S/C16H28N2O2/c1-2-7-16(8-4-9-17-12-16)15(19)18-10-11-20-14-6-3-5-13(14)18/h13-14,17H,2-12H2,1H3
InChIKeyRQZRPIAZEJHFOC-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.94
Rot. Bonds3

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

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone (PubChem CID 63135439) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone
PubChem CID63135439
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCOC3CCCC32)CCCNC1
InChIInChI=1S/C16H28N2O2/c1-2-7-16(8-4-9-17-12-16)15(19)18-10-11-20-14-6-3-5-13(14)18/h13-14,17H,2-12H2,1H3
InChIKeyRQZRPIAZEJHFOC-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-propylpiperidin-4-yl)methanone
CID 63128249
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119733982
4-(3-propylpiperidine-3-carbonyl)morpholine-3-carboxamide
CID 83102514
1-(3-propylpiperidine-3-carbonyl)piperidine-2-carboxamide
CID 63131177
(4-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132180
3-ethyl-4-(3-propylpiperidine-3-carbonyl)piperazin-2-one
CID 63600542
(2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63217718
8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(3-propylpiperidin-3-yl)methanone
CID 66369459
(2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63142267
(3,5-dimethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132443
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-ethylpyrrolidin-3-yl)methanone
CID 65320934
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056

Frequently Asked Questions

What is the IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone (CID 63135439) is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)N2CCOC3CCCC32)CCCNC1.
What is the InChIKey of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone?
The InChIKey is RQZRPIAZEJHFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-7-16(8-4-9-17-12-16)15(19)18-10-11-20-14-6-3-5-13(14)18/h13-14,17H,2-12H2,1H3.
What are the key properties of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone?
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone has a molecular weight of 280.41 g/mol, XLogP of 1.94, 3 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-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 63135439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).