4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide

C16H21N3O4 — CID 119781431

IUPAC4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CCNCC1
InChIInChI=1S/C16H21N3O4/c1-19-12-9-11(3-4-13(12)23-10-14(19)20)18-15(21)16(22-2)5-7-17-8-6-16/h3-4,9,17H,5-8,10H2,1-2H3,(H,18,21)
InChIKeyXMEQEOVOJKDIMO-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.75
Rot. Bonds3

About 4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide

4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide (PubChem CID 119781431) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
PubChem CID119781431
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CCNCC1
InChIInChI=1S/C16H21N3O4/c1-19-12-9-11(3-4-13(12)23-10-14(19)20)18-15(21)16(22-2)5-7-17-8-6-16/h3-4,9,17H,5-8,10H2,1-2H3,(H,18,21)
InChIKeyXMEQEOVOJKDIMO-UHFFFAOYSA-N
XLogP0.75
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,3,3-tetramethyl-1-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 146081080
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119704635
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119699420
4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]propanoate
CID 82316757
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
N-(1-ethyl-6-oxo-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119723774

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide (CID 119781431) is 4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide is COC1(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CCNCC1.
What is the InChIKey of 4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The InChIKey is XMEQEOVOJKDIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-19-12-9-11(3-4-13(12)23-10-14(19)20)18-15(21)16(22-2)5-7-17-8-6-16/h3-4,9,17H,5-8,10H2,1-2H3,(H,18,21).
What are the key properties of 4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 119781431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).