(2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one

C16H20N2O3 — CID 51713867

IUPAC(2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one
SMILESC[C@@H]1Oc2ccc(C(=O)C3CCNCC3)cc2N(C)C1=O
InChIInChI=1S/C16H20N2O3/c1-10-16(20)18(2)13-9-12(3-4-14(13)21-10)15(19)11-5-7-17-8-6-11/h3-4,9-11,17H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyCNGLSGOXRQPNJH-JTQLQIEISA-N
MW288.35 g/mol
LogP1.61
Rot. Bonds2

About (2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one

(2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one (PubChem CID 51713867) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one
PubChem CID51713867
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one
SMILESC[C@@H]1Oc2ccc(C(=O)C3CCNCC3)cc2N(C)C1=O
InChIInChI=1S/C16H20N2O3/c1-10-16(20)18(2)13-9-12(3-4-14(13)21-10)15(19)11-5-7-17-8-6-11/h3-4,9-11,17H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyCNGLSGOXRQPNJH-JTQLQIEISA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
6-(2,6-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 110683186
6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714874
6-(4-chlorobenzoyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714875
(2R)-6-[(2S)-2-chloropropanoyl]-2,4-dimethyl-1,4-benzoxazin-3-one
CID 7536483
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanal
CID 82479708
2,4-dimethyl-6-[2-(methylamino)propanoyl]-1,4-benzoxazin-3-one
CID 82100944
2-methyl-6-(pyrrolidine-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 116916888
2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one
CID 82100941
N-[(2-chlorophenyl)methyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683170
2-ethyl-4-methyl-6-(piperidine-2-carbonyl)-1,4-benzoxazin-3-one
CID 82339617
5-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)pyrrolidine-3-carboxylic acid
CID 117469023

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one?
The IUPAC name of (2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one (CID 51713867) is (2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for (2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one?
The canonical SMILES for (2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one is C[C@@H]1Oc2ccc(C(=O)C3CCNCC3)cc2N(C)C1=O.
What is the InChIKey of (2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one?
The InChIKey is CNGLSGOXRQPNJH-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-16(20)18(2)13-9-12(3-4-14(13)21-10)15(19)11-5-7-17-8-6-11/h3-4,9-11,17H,5-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one?
(2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-6-(piperidine-4-carbonyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 51713867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).