1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide

C15H20N4O2 — CID 82368002

IUPAC1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide
SMILESCC1Oc2cc(N)ccc2N=C1N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H20N4O2/c1-9-15(19-6-4-10(5-7-19)14(17)20)18-12-3-2-11(16)8-13(12)21-9/h2-3,8-10H,4-7,16H2,1H3,(H2,17,20)
InChIKeyFWIDOVDGRWOFEO-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.28
Rot. Bonds1

About 1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide

1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide (PubChem CID 82368002) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide
PubChem CID82368002
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide
SMILESCC1Oc2cc(N)ccc2N=C1N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H20N4O2/c1-9-15(19-6-4-10(5-7-19)14(17)20)18-12-3-2-11(16)8-13(12)21-9/h2-3,8-10H,4-7,16H2,1H3,(H2,17,20)
InChIKeyFWIDOVDGRWOFEO-UHFFFAOYSA-N
XLogP1.28
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide (CID 82368002) is 1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide is CC1Oc2cc(N)ccc2N=C1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide?
The InChIKey is FWIDOVDGRWOFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-15(19-6-4-10(5-7-19)14(17)20)18-12-3-2-11(16)8-13(12)21-9/h2-3,8-10H,4-7,16H2,1H3,(H2,17,20).
What are the key properties of 1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide?
1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-2-methyl-2H-1,4-benzoxazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 82368002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).