2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide

C21H22N4O4 — CID 53012258

IUPAC2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide
SMILESO=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)Nc1ccncc1
InChIInChI=1S/C21H22N4O4/c26-19(23-16-6-8-22-9-7-16)13-25-17-12-15(4-5-18(17)29-14-20(25)27)21(28)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,22,23,26)
InChIKeyHRYPXWJINHUTDU-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.07
Rot. Bonds4

About 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide

2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide (PubChem CID 53012258) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide
PubChem CID53012258
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide
SMILESO=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)Nc1ccncc1
InChIInChI=1S/C21H22N4O4/c26-19(23-16-6-8-22-9-7-16)13-25-17-12-15(4-5-18(17)29-14-20(25)27)21(28)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,22,23,26)
InChIKeyHRYPXWJINHUTDU-UHFFFAOYSA-N
XLogP2.07
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 46344147
2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-2-ylacetamide
CID 53004283
N-(2-ethylphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 53012227
2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 30872901
N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 53053398
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 53012277
4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 53012835
2-[6-(3,5-dimethylpyrazole-1-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-phenylacetamide
CID 43817257
N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 53012262
2-[2,2-dimethyl-3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-(4-methylphenyl)acetamide
CID 1450820
2-[2,2-dimethyl-3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-(4-methylphenyl)acetamide
CID 1450842
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 23409530

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide (CID 53012258) is 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide is O=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)Nc1ccncc1.
What is the InChIKey of 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide?
The InChIKey is HRYPXWJINHUTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c26-19(23-16-6-8-22-9-7-16)13-25-17-12-15(4-5-18(17)29-14-20(25)27)21(28)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,22,23,26).
What are the key properties of 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide?
2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide has a molecular weight of 394.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 53012258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).