1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide

C17H21N3O4 — CID 110682939

IUPAC1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide
SMILESCC1Oc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2N(C)C1=O
InChIInChI=1S/C17H21N3O4/c1-10-16(22)19(2)13-4-3-12(9-14(13)24-10)17(23)20-7-5-11(6-8-20)15(18)21/h3-4,9-11H,5-8H2,1-2H3,(H2,18,21)
InChIKeyKVSVXLMNSLBDMM-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.77
Rot. Bonds2

About 1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide

1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide (PubChem CID 110682939) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide
PubChem CID110682939
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide
SMILESCC1Oc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2N(C)C1=O
InChIInChI=1S/C17H21N3O4/c1-10-16(22)19(2)13-4-3-12(9-14(13)24-10)17(23)20-7-5-11(6-8-20)15(18)21/h3-4,9-11H,5-8H2,1-2H3,(H2,18,21)
InChIKeyKVSVXLMNSLBDMM-UHFFFAOYSA-N
XLogP0.77
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 116995057
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
2,4-dimethyl-7-(2-phenylprop-2-enoyl)-1,4-benzoxazin-3-one
CID 3077708
1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
CID 46306967
1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide
CID 61089682
(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
2,4-dimethyl-7-(2-methylidenepentanoyl)-1,4-benzoxazin-3-one
CID 3077707
1-(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 108805167
1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide
CID 26824225
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one
CID 79788265

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide (CID 110682939) is 1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide is CC1Oc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2N(C)C1=O.
What is the InChIKey of 1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide?
The InChIKey is KVSVXLMNSLBDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10-16(22)19(2)13-4-3-12(9-14(13)24-10)17(23)20-7-5-11(6-8-20)15(18)21/h3-4,9-11H,5-8H2,1-2H3,(H2,18,21).
What are the key properties of 1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide?
1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 110682939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).