ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate

C16H19N3O4 — CID 72702552

IUPACethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc3ccccc3c(=O)o2)CC1
InChIInChI=1S/C16H19N3O4/c1-2-22-16(21)19-9-7-11(8-10-19)17-15-18-13-6-4-3-5-12(13)14(20)23-15/h3-6,11H,2,7-10H2,1H3,(H,17,18)
InChIKeyICZZPFZNCCVZCI-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.22
Rot. Bonds3

About ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate

ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 72702552) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID72702552
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Nameethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc3ccccc3c(=O)o2)CC1
InChIInChI=1S/C16H19N3O4/c1-2-22-16(21)19-9-7-11(8-10-19)17-15-18-13-6-4-3-5-12(13)14(20)23-15/h3-6,11H,2,7-10H2,1H3,(H,17,18)
InChIKeyICZZPFZNCCVZCI-UHFFFAOYSA-N
XLogP2.22
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate
CID 68700029
ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 5309684
tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
CID 71629873
bis(ethyl 4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate);hydrate
CID 70358450
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
CID 22009363
ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate
CID 166442180
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
ethyl 4-[[4-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]methyl]-2,6-diethoxybenzoate
CID 46882832
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112933135

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate (CID 72702552) is ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc3ccccc3c(=O)o2)CC1.
What is the InChIKey of ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is ICZZPFZNCCVZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-2-22-16(21)19-9-7-11(8-10-19)17-15-18-13-6-4-3-5-12(13)14(20)23-15/h3-6,11H,2,7-10H2,1H3,(H,17,18).
What are the key properties of ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 72702552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).