2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone

C14H24N2O2 — CID 54871942

IUPAC2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone
SMILESO=C(C1CCCNC1)N1CCOC2CCCCC21
InChIInChI=1S/C14H24N2O2/c17-14(11-4-3-7-15-10-11)16-8-9-18-13-6-2-1-5-12(13)16/h11-13,15H,1-10H2
InChIKeyNNVLAQKJAVZBHM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.16
Rot. Bonds1

About 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone (PubChem CID 54871942) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone.

Molecular Properties

Compound Name2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone
PubChem CID54871942
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone
SMILESO=C(C1CCCNC1)N1CCOC2CCCCC21
InChIInChI=1S/C14H24N2O2/c17-14(11-4-3-7-15-10-11)16-8-9-18-13-6-2-1-5-12(13)16/h11-13,15H,1-10H2
InChIKeyNNVLAQKJAVZBHM-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone?
The IUPAC name of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone (CID 54871942) is 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone.
What is the SMILES notation for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone?
The canonical SMILES for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone is O=C(C1CCCNC1)N1CCOC2CCCCC21.
What is the InChIKey of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone?
The InChIKey is NNVLAQKJAVZBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(11-4-3-7-15-10-11)16-8-9-18-13-6-2-1-5-12(13)16/h11-13,15H,1-10H2.
What are the key properties of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone?
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(piperidin-3-yl)methanone is sourced from PubChem (CID 54871942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).