6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one

C14H19N3O2 — CID 115118403

IUPAC6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one
SMILESCNc1ccc2c(c1)N(C1CCNCC1)C(=O)CO2
InChIInChI=1S/C14H19N3O2/c1-15-10-2-3-13-12(8-10)17(14(18)9-19-13)11-4-6-16-7-5-11/h2-3,8,11,15-16H,4-7,9H2,1H3
InChIKeyTWSDPFKGOQHKSR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.21
Rot. Bonds2

About 6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one

6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one (PubChem CID 115118403) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one
PubChem CID115118403
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one
SMILESCNc1ccc2c(c1)N(C1CCNCC1)C(=O)CO2
InChIInChI=1S/C14H19N3O2/c1-15-10-2-3-13-12(8-10)17(14(18)9-19-13)11-4-6-16-7-5-11/h2-3,8,11,15-16H,4-7,9H2,1H3
InChIKeyTWSDPFKGOQHKSR-UHFFFAOYSA-N
XLogP1.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-(2-aminoethyl)-4-pyrrolidin-3-yl-1,4-benzoxazin-3-one
CID 115119034
6-(methylamino)-3-oxo-1,4-benzoxazine-4-carbothioic S-acid
CID 115169850
4-piperidin-4-yl-1,4-benzoxazin-3-one;2,2,2-trifluoroacetic acid
CID 22380580
2-methyl-3-[6-(methylamino)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid
CID 115219347
6-bromo-4-cyclopentyl-1,4-benzoxazin-3-one
CID 117007506
1-[6-(methylamino)-3-oxo-1,4-benzoxazin-4-yl]propane-1,2-dione
CID 115175502
methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate
CID 115190502
4-(azetidin-3-yl)-6-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
CID 117040823
6-(methylamino)-4-(2,2,2-trifluoroethyl)-1,4-benzoxazin-3-one
CID 115257791
6-(methylamino)-4-(3-sulfanylpropanoyl)-1,4-benzoxazin-3-one
CID 115167767
4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one
CID 22326696
1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
CID 10704740

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one (CID 115118403) is 6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one is CNc1ccc2c(c1)N(C1CCNCC1)C(=O)CO2.
What is the InChIKey of 6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one?
The InChIKey is TWSDPFKGOQHKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-10-2-3-13-12(8-10)17(14(18)9-19-13)11-4-6-16-7-5-11/h2-3,8,11,15-16H,4-7,9H2,1H3.
What are the key properties of 6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one?
6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one has a molecular weight of 261.32 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-4-piperidin-4-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 115118403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).