N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide

C24H27N3O4 — CID 53012262

IUPACN-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21
InChIInChI=1S/C24H27N3O4/c1-25(15-18-8-4-2-5-9-18)22(28)16-27-20-14-19(10-11-21(20)31-17-23(27)29)24(30)26-12-6-3-7-13-26/h2,4-5,8-11,14H,3,6-7,12-13,15-17H2,1H3
InChIKeyUEEYWUJKDQZTKE-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.70
Rot. Bonds5

About N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide

N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide (PubChem CID 53012262) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
PubChem CID53012262
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21
InChIInChI=1S/C24H27N3O4/c1-25(15-18-8-4-2-5-9-18)22(28)16-27-20-14-19(10-11-21(20)31-17-23(27)29)24(30)26-12-6-3-7-13-26/h2,4-5,8-11,14H,3,6-7,12-13,15-17H2,1H3
InChIKeyUEEYWUJKDQZTKE-UHFFFAOYSA-N
XLogP2.70
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[6-[2-(3,5-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-methylacetamide
CID 46035522
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 53012277
N-(2-ethylphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 53012227
4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 53012835
2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-2-ylacetamide
CID 53004283
2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]-N-pyridin-4-ylacetamide
CID 53012258
N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 53053398
N-[(4-bromophenyl)methyl]-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
CID 34755144
N-(4-methoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 46344147
4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 52998609
N-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53088570
N-benzyl-N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770404

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide (CID 53012262) is N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide is CN(Cc1ccccc1)C(=O)CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21.
What is the InChIKey of N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide?
The InChIKey is UEEYWUJKDQZTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-25(15-18-8-4-2-5-9-18)22(28)16-27-20-14-19(10-11-21(20)31-17-23(27)29)24(30)26-12-6-3-7-13-26/h2,4-5,8-11,14H,3,6-7,12-13,15-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide?
N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 53012262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).