2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one

C16H23N3O2 — CID 3070296

IUPAC2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1(C)Oc2cccnc2N(CCN2CCCCC2)C1=O
InChIInChI=1S/C16H23N3O2/c1-16(2)15(20)19(12-11-18-9-4-3-5-10-18)14-13(21-16)7-6-8-17-14/h6-8H,3-5,9-12H2,1-2H3
InChIKeyHKFWRALHEMJDEC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.07
Rot. Bonds3

About 2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one

2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 3070296) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID3070296
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1(C)Oc2cccnc2N(CCN2CCCCC2)C1=O
InChIInChI=1S/C16H23N3O2/c1-16(2)15(20)19(12-11-18-9-4-3-5-10-18)14-13(21-16)7-6-8-17-14/h6-8H,3-5,9-12H2,1-2H3
InChIKeyHKFWRALHEMJDEC-UHFFFAOYSA-N
XLogP2.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one (CID 3070296) is 2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one is CC1(C)Oc2cccnc2N(CCN2CCCCC2)C1=O.
What is the InChIKey of 2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is HKFWRALHEMJDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2)15(20)19(12-11-18-9-4-3-5-10-18)14-13(21-16)7-6-8-17-14/h6-8H,3-5,9-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one?
2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 289.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-piperidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 3070296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).