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

C17H24N4O2 — CID 56819218

IUPAC3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2ncccn2)C1)N1CCOC2CCCC21
InChIInChI=1S/C17H24N4O2/c22-16(21-10-11-23-15-6-1-5-14(15)21)13-4-2-9-20(12-13)17-18-7-3-8-19-17/h3,7-8,13-15H,1-2,4-6,9-12H2
InChIKeyGQHVQYXQTHNJCV-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.47
Rot. Bonds2

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

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone (PubChem CID 56819218) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
PubChem CID56819218
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2ncccn2)C1)N1CCOC2CCCC21
InChIInChI=1S/C17H24N4O2/c22-16(21-10-11-23-15-6-1-5-14(15)21)13-4-2-9-20(12-13)17-18-7-3-8-19-17/h3,7-8,13-15H,1-2,4-6,9-12H2
InChIKeyGQHVQYXQTHNJCV-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
The IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone (CID 56819218) is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone.
What is the SMILES notation for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
The canonical SMILES for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone is O=C(C1CCCN(c2ncccn2)C1)N1CCOC2CCCC21.
What is the InChIKey of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
The InChIKey is GQHVQYXQTHNJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16(21-10-11-23-15-6-1-5-14(15)21)13-4-2-9-20(12-13)17-18-7-3-8-19-17/h3,7-8,13-15H,1-2,4-6,9-12H2.
What are the key properties of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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-(1-pyrimidin-2-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 56819218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).