2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one

C13H15N3O2 — CID 18762616

IUPAC2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one
SMILESO=c1oc(NC2CCNCC2)nc2ccccc12
InChIInChI=1S/C13H15N3O2/c17-12-10-3-1-2-4-11(10)16-13(18-12)15-9-5-7-14-8-6-9/h1-4,9,14H,5-8H2,(H,15,16)
InChIKeyMYBXTXQHOCBQCU-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.35
Rot. Bonds2

About 2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one

2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one (PubChem CID 18762616) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one
PubChem CID18762616
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one
SMILESO=c1oc(NC2CCNCC2)nc2ccccc12
InChIInChI=1S/C13H15N3O2/c17-12-10-3-1-2-4-11(10)16-13(18-12)15-9-5-7-14-8-6-9/h1-4,9,14H,5-8H2,(H,15,16)
InChIKeyMYBXTXQHOCBQCU-UHFFFAOYSA-N
XLogP1.35
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one (CID 18762616) is 2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one is O=c1oc(NC2CCNCC2)nc2ccccc12.
What is the InChIKey of 2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one?
The InChIKey is MYBXTXQHOCBQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12-10-3-1-2-4-11(10)16-13(18-12)15-9-5-7-14-8-6-9/h1-4,9,14H,5-8H2,(H,15,16).
What are the key properties of 2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one?
2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one has a molecular weight of 245.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one is sourced from PubChem (CID 18762616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).